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Complete list of descriptors calculated by alvaDesc 1.0

Following, the complete list of all descriptors available in alvaDesc 1.0, grouped by block:


No. Name Description Block
1MWmolecular weightConstitutional indices
2AMWaverage molecular weightConstitutional indices
3Svsum of atomic van der Waals volumes (scaled on Carbon atom)Constitutional indices
4Sesum of atomic Sanderson electronegativities (scaled on Carbon atom)Constitutional indices
5Spsum of atomic polarizabilities (scaled on Carbon atom)Constitutional indices
6Sisum of first ionization potentials (scaled on Carbon atom)Constitutional indices
7Mvmean atomic van der Waals volume (scaled on Carbon atom)Constitutional indices
8Memean atomic Sanderson electronegativity (scaled on Carbon atom)Constitutional indices
9Mpmean atomic polarizability (scaled on Carbon atom)Constitutional indices
10Mimean first ionization potential (scaled on Carbon atom)Constitutional indices
11GDgraph densityConstitutional indices
12nATnumber of atomsConstitutional indices
13nSKnumber of non-H atomsConstitutional indices
14nTAnumber of terminal atomsConstitutional indices
15nBTnumber of bondsConstitutional indices
16nBOnumber of non-H bondsConstitutional indices
17nBMnumber of multiple bondsConstitutional indices
18SCBOsum of conventional bond orders (H-depleted)Constitutional indices
19RBNnumber of rotatable bondsConstitutional indices
20RBFrotatable bond fractionConstitutional indices
21nDBnumber of double bondsConstitutional indices
22nTBnumber of triple bondsConstitutional indices
23nABnumber of aromatic bondsConstitutional indices
24nHnumber of Hydrogen atomsConstitutional indices
25nCnumber of Carbon atomsConstitutional indices
26nNnumber of Nitrogen atomsConstitutional indices
27nOnumber of Oxygen atomsConstitutional indices
28nPnumber of Phosphorous atomsConstitutional indices
29nSnumber of Sulfur atomsConstitutional indices
30nFnumber of Fluorine atomsConstitutional indices
31nCLnumber of Chlorine atomsConstitutional indices
32nBRnumber of Bromine atomsConstitutional indices
33nInumber of Iodine atomsConstitutional indices
34nBnumber of Boron atomsConstitutional indices
35nHMnumber of heavy atomsConstitutional indices
36nHetnumber of heteroatomsConstitutional indices
37nXnumber of halogen atomsConstitutional indices
38H%percentage of H atomsConstitutional indices
39C%percentage of C atomsConstitutional indices
40N%percentage of N atomsConstitutional indices
41O%percentage of O atomsConstitutional indices
42X%percentage of halogen atomsConstitutional indices
43nCsp3number of sp3 hybridized Carbon atomsConstitutional indices
44nCsp2number of sp2 hybridized Carbon atomsConstitutional indices
45nCspnumber of sp hybridized Carbon atomsConstitutional indices
46max_conj_pathmaximum number of atoms that can be in conjugation with each otherConstitutional indices
47nStructuresnumber of disconnected structuresConstitutional indices
48totalchargetotal chargeConstitutional indices
49nCICnumber of rings (cyclomatic number)Ring descriptors
50nCIRnumber of circuitsRing descriptors
51TRStotal ring sizeRing descriptors
52Rperimring perimeterRing descriptors
53Rbridring bridge countRing descriptors
54MCDmolecular cyclized degreeRing descriptors
55RFDring fusion densityRing descriptors
56RCIring complexity indexRing descriptors
57NRSnumber of ring systemsRing descriptors
58NNRSnormalized number of ring systemsRing descriptors
59nR03number of 3-membered ringsRing descriptors
60nR04number of 4-membered ringsRing descriptors
61nR05number of 5-membered ringsRing descriptors
62nR06number of 6-membered ringsRing descriptors
63nR07number of 7-membered ringsRing descriptors
64nR08number of 8-membered ringsRing descriptors
65nR09number of 9-membered ringsRing descriptors
66nR10number of 10-membered ringsRing descriptors
67nR11number of 11-membered ringsRing descriptors
68nR12number of 12-membered ringsRing descriptors
69nBnznumber of benzene-like ringsRing descriptors
70ARRaromatic ratioRing descriptors
71D/Dtr03distance/detour ring index of order 3Ring descriptors
72D/Dtr04distance/detour ring index of order 4Ring descriptors
73D/Dtr05distance/detour ring index of order 5Ring descriptors
74D/Dtr06distance/detour ring index of order 6Ring descriptors
75D/Dtr07distance/detour ring index of order 7Ring descriptors
76D/Dtr08distance/detour ring index of order 8Ring descriptors
77D/Dtr09distance/detour ring index of order 9Ring descriptors
78D/Dtr10distance/detour ring index of order 10Ring descriptors
79D/Dtr11distance/detour ring index of order 11Ring descriptors
80D/Dtr12distance/detour ring index of order 12Ring descriptors
81ZM1first Zagreb indexTopological indices
82ZM1Vfirst Zagreb index by valence vertex degreesTopological indices
83ZM1Kupfirst Zagreb index by Kupchik vertex degreesTopological indices
84ZM1Madfirst Zagreb index by Madan vertex degreesTopological indices
85ZM1Perfirst Zagreb index by perturbation vertex degreesTopological indices
86ZM1MulPerfirst Zagreb index by multiplicative perturbation vertex degreesTopological indices
87ZM2second Zagreb indexTopological indices
88ZM2Vsecond Zagreb index by valence vertex degreesTopological indices
89ZM2Kupsecond Zagreb index by Kupchik vertex degreesTopological indices
90ZM2Madsecond Zagreb index by Madan vertex degreesTopological indices
91ZM2Persecond Zagreb index by perturbation vertex degreesTopological indices
92ZM2MulPersecond Zagreb index by multiplicative perturbation vertex degreesTopological indices
93ON0overall modified Zagreb index of order 0Topological indices
94ON0Voverall modified Zagreb index of order 0 by valence vertex degreesTopological indices
95ON1overall modified Zagreb index of order 1Topological indices
96ON1Voverall modified Zagreb index of order 1 by valence vertex degreesTopological indices
97Qindexquadratic indexTopological indices
98BBIBertz branching indexTopological indices
99DBIDragon branching indexTopological indices
100SNarNarumi simple topological index (log function)Topological indices
101HNarNarumi harmonic topological indexTopological indices
102GNarNarumi geometric topological indexTopological indices
103Xttotal structure connectivity indexTopological indices
104DzPogliani indexTopological indices
105Ramramification indexTopological indices
106BLIKier benzene-likeliness indexTopological indices
107Polpolarity numberTopological indices
108LPRSlog of product of row sums (PRS)Topological indices
109MSDmean square distance index (Balaban)Topological indices
110SPIsuperpendentic indexTopological indices
111PJI22D Petitjean shape indexTopological indices
112ECCeccentricityTopological indices
113AECCaverage eccentricityTopological indices
114DECCeccentricTopological indices
115MDDDmean distance degree deviationTopological indices
116UNIPunipolarityTopological indices
117CENTcentralizationTopological indices
118VARvariationTopological indices
119ICRradial centric information indexTopological indices
120MaxTDmax topological distanceTopological indices
121MeanTDmean pairwise topological distanceTopological indices
122MaxDDmax detour distanceTopological indices
123MeanDDmean pairwise detour distanceTopological indices
124SMTISchultz Molecular Topological Index (MTI)Topological indices
125SMTIVSchultz Molecular Topological Index by valence vertex degreesTopological indices
126GMTIGutman Molecular Topological IndexTopological indices
127GMTIVGutman Molecular Topological Index by valence vertex degreesTopological indices
128XuXu indexTopological indices
129CSIeccentric connectivity indexTopological indices
130Wapall-path Wiener indexTopological indices
131S1K1-path Kier alpha-modified shape indexTopological indices
132S2K2-path Kier alpha-modified shape indexTopological indices
133S3K3-path Kier alpha-modified shape indexTopological indices
134PHIKier flexibility indexTopological indices
135PW2path/walk 2 - Randic shape indexTopological indices
136PW3path/walk 3 - Randic shape indexTopological indices
137PW4path/walk 4 - Randic shape indexTopological indices
138PW5path/walk 5 - Randic shape indexTopological indices
139MAXDNmaximal electrotopological negative variationTopological indices
140MAXDPmaximal electrotopological positive variationTopological indices
141DELSmolecular electrotopological variationTopological indices
142TIEE-state topological parameterTopological indices
143Psi_i_sintrinsic state pseudoconnectivity index - type STopological indices
144Psi_i_Aintrinsic state pseudoconnectivity index - type S averageTopological indices
145Psi_i_0intrinsic state pseudoconnectivity index - type 0Topological indices
146Psi_i_1intrinsic state pseudoconnectivity index - type 1Topological indices
147Psi_i_tintrinsic state pseudoconnectivity index - type TTopological indices
148Psi_i_0dintrinsic state pseudoconnectivity index - type 0dTopological indices
149Psi_i_1dintrinsic state pseudoconnectivity index - type 1dTopological indices
150Psi_i_1sintrinsic state pseudoconnectivity index - type 1sTopological indices
151Psi_e_Aelectrotopological state pseudoconnectivity index - type S averageTopological indices
152Psi_e_0electrotopological state pseudoconnectivity index - type 0Topological indices
153Psi_e_1electrotopological state pseudoconnectivity index - type 1Topological indices
154Psi_e_telectrotopological state pseudoconnectivity index - type TTopological indices
155Psi_e_0delectrotopological state pseudoconnectivity index - type 0dTopological indices
156Psi_e_1delectrotopological state pseudoconnectivity index - type 1dTopological indices
157Psi_e_1selectrotopological state pseudoconnectivity index - type 1sTopological indices
158BACBalaban centric indexTopological indices
159LOClopping centric indexTopological indices
160MWC01molecular walk count of order 1Walk and path counts
161MWC02molecular walk count of order 2Walk and path counts
162MWC03molecular walk count of order 3Walk and path counts
163MWC04molecular walk count of order 4Walk and path counts
164MWC05molecular walk count of order 5Walk and path counts
165MWC06molecular walk count of order 6Walk and path counts
166MWC07molecular walk count of order 7Walk and path counts
167MWC08molecular walk count of order 8Walk and path counts
168MWC09molecular walk count of order 9Walk and path counts
169MWC10molecular walk count of order 10Walk and path counts
170SRW02self-returning walk count of order 2Walk and path counts
171SRW03self-returning walk count of order 3Walk and path counts
172SRW04self-returning walk count of order 4Walk and path counts
173SRW05self-returning walk count of order 5Walk and path counts
174SRW06self-returning walk count of order 6Walk and path counts
175SRW07self-returning walk count of order 7Walk and path counts
176SRW08self-returning walk count of order 8Walk and path counts
177SRW09self-returning walk count of order 9Walk and path counts
178SRW10self-returning walk count of order 10Walk and path counts
179MPC01molecular path count of order 1 (no. of non-H bonds)Walk and path counts
180MPC02molecular path count of order 2 (Gordon-Scantlebury index)Walk and path counts
181MPC03molecular path count of order 3Walk and path counts
182MPC04molecular path count of order 4Walk and path counts
183MPC05molecular path count of order 5Walk and path counts
184MPC06molecular path count of order 6Walk and path counts
185MPC07molecular path count of order 7Walk and path counts
186MPC08molecular path count of order 8Walk and path counts
187MPC09molecular path count of order 9Walk and path counts
188MPC10molecular path count of order 10Walk and path counts
189piPC01molecular multiple path count of order 1Walk and path counts
190piPC02molecular multiple path count of order 2Walk and path counts
191piPC03molecular multiple path count of order 3Walk and path counts
192piPC04molecular multiple path count of order 4Walk and path counts
193piPC05molecular multiple path count of order 5Walk and path counts
194piPC06molecular multiple path count of order 6Walk and path counts
195piPC07molecular multiple path count of order 7Walk and path counts
196piPC08molecular multiple path count of order 8Walk and path counts
197piPC09molecular multiple path count of order 9Walk and path counts
198piPC10molecular multiple path count of order 10Walk and path counts
199TWCtotal walk countWalk and path counts
200TPCtotal path countWalk and path counts
201piIDconventional bond order ID numberWalk and path counts
202PCRratio of multiple path count over path countWalk and path counts
203PCDdifference between multiple path count and path countWalk and path counts
204CIDRandic ID numberWalk and path counts
205BIDBalaban ID numberWalk and path counts
206X0connectivity index of order 0Connectivity indices
207X1connectivity index of order 1 (Randic connectivity index)Connectivity indices
208X2connectivity index of order 2Connectivity indices
209X3connectivity index of order 3Connectivity indices
210X4connectivity index of order 4Connectivity indices
211X5connectivity index of order 5Connectivity indices
212X0Aaverage connectivity index of order 0Connectivity indices
213X1Aaverage connectivity index of order 1Connectivity indices
214X2Aaverage connectivity index of order 2Connectivity indices
215X3Aaverage connectivity index of order 3Connectivity indices
216X4Aaverage connectivity index of order 4Connectivity indices
217X5Aaverage connectivity index of order 5Connectivity indices
218X0vvalence connectivity index of order 0Connectivity indices
219X1vvalence connectivity index of order 1Connectivity indices
220X2vvalence connectivity index of order 2Connectivity indices
221X3vvalence connectivity index of order 3Connectivity indices
222X4vvalence connectivity index of order 4Connectivity indices
223X5vvalence connectivity index of order 5Connectivity indices
224X0Avaverage valence connectivity index of order 0Connectivity indices
225X1Avaverage valence connectivity index of order 1Connectivity indices
226X2Avaverage valence connectivity index of order 2Connectivity indices
227X3Avaverage valence connectivity index of order 3Connectivity indices
228X4Avaverage valence connectivity index of order 4Connectivity indices
229X5Avaverage valence connectivity index of order 5Connectivity indices
230X0solsolvation connectivity index of order 0Connectivity indices
231X1solsolvation connectivity index of order 1Connectivity indices
232X2solsolvation connectivity index of order 2Connectivity indices
233X3solsolvation connectivity index of order 3Connectivity indices
234X4solsolvation connectivity index of order 4Connectivity indices
235X5solsolvation connectivity index of order 5Connectivity indices
236XMODmodified Randic indexConnectivity indices
237RDCHIreciprocal distance sum Randic-like indexConnectivity indices
238RDSQreciprocal distance sum inverse Randic-like indexConnectivity indices
239X1KupKupchik connectivity indexConnectivity indices
240X1Madconnectivity topochemical indexConnectivity indices
241X1Perperturbation connectivity indexConnectivity indices
242X1MulPermultiplicative perturbation connectivity indexConnectivity indices
243ISIZinformation index on molecular sizeInformation indices
244IACtotal information index on atomic compositionInformation indices
245AACmean information index on atomic compositionInformation indices
246IDEmean information content on the distance equalityInformation indices
247IDMmean information content on the distance magnitudeInformation indices
248IDDEmean information content on the distance degree equalityInformation indices
249IDDMmean information content on the distance degree magnitudeInformation indices
250IDETtotal information content on the distance equalityInformation indices
251IDMTtotal information content on the distance magnitudeInformation indices
252IVDEmean information content on the vertex degree equalityInformation indices
253IVDMmean information content on the vertex degree magnitudeInformation indices
254GesNumber of symmetry classes (based on electrotopological state)Information indices
255rGesRelative number of symmetry classes (based on electrotopological state)Information indices
256S0KKier symmetry indexInformation indices
257HVcpxgraph vertex complexity indexInformation indices
258HDcpxgraph distance complexity index (log function)Information indices
259UindexBalaban U indexInformation indices
260VindexBalaban V indexInformation indices
261XindexBalaban X indexInformation indices
262YindexBalaban Y indexInformation indices
263IC0Information Content index (neighborhood symmetry of 0-order)Information indices
264IC1Information Content index (neighborhood symmetry of 1-order)Information indices
265IC2Information Content index (neighborhood symmetry of 2-order)Information indices
266IC3Information Content index (neighborhood symmetry of 3-order)Information indices
267IC4Information Content index (neighborhood symmetry of 4-order)Information indices
268IC5Information Content index (neighborhood symmetry of 5-order)Information indices
269TIC0Total Information Content index (neighborhood symmetry of 0-order)Information indices
270TIC1Total Information Content index (neighborhood symmetry of 1-order)Information indices
271TIC2Total Information Content index (neighborhood symmetry of 2-order)Information indices
272TIC3Total Information Content index (neighborhood symmetry of 3-order)Information indices
273TIC4Total Information Content index (neighborhood symmetry of 4-order)Information indices
274TIC5Total Information Content index (neighborhood symmetry of 5-order)Information indices
275SIC0Structural Information Content index (neighborhood symmetry of 0-order)Information indices
276SIC1Structural Information Content index (neighborhood symmetry of 1-order)Information indices
277SIC2Structural Information Content index (neighborhood symmetry of 2-order)Information indices
278SIC3Structural Information Content index (neighborhood symmetry of 3-order)Information indices
279SIC4Structural Information Content index (neighborhood symmetry of 4-order)Information indices
280SIC5Structural Information Content index (neighborhood symmetry of 5-order)Information indices
281CIC0Complementary Information Content index (neighborhood symmetry of 0-order)Information indices
282CIC1Complementary Information Content index (neighborhood symmetry of 1-order)Information indices
283CIC2Complementary Information Content index (neighborhood symmetry of 2-order)Information indices
284CIC3Complementary Information Content index (neighborhood symmetry of 3-order)Information indices
285CIC4Complementary Information Content index (neighborhood symmetry of 4-order)Information indices
286CIC5Complementary Information Content index (neighborhood symmetry of 5-order)Information indices
287BIC0Bond Information Content index (neighborhood symmetry of 0-order)Information indices
288BIC1Bond Information Content index (neighborhood symmetry of 1-order)Information indices
289BIC2Bond Information Content index (neighborhood symmetry of 2-order)Information indices
290BIC3Bond Information Content index (neighborhood symmetry of 3-order)Information indices
291BIC4Bond Information Content index (neighborhood symmetry of 4-order)Information indices
292BIC5Bond Information Content index (neighborhood symmetry of 5-order)Information indices
293J_ABalaban-like index from adjacency matrix2D matrix-based descriptors
294SpPos_Aspectral positive sum from adjacency matrix2D matrix-based descriptors
295SpPosA_Anormalized spectral positive sum from adjacency matrix2D matrix-based descriptors
296SpPosLog_Alogarithmic spectral positive sum from adjacency matrix2D matrix-based descriptors
297SpMax_Aleading eigenvalue from adjacency matrix (Lovasz-Pelikan index)2D matrix-based descriptors
298SpMaxA_Anormalized leading eigenvalue from adjacency matrix2D matrix-based descriptors
299SpDiam_Aspectral diameter from adjacency matrix2D matrix-based descriptors
300SpAD_Aspectral absolute deviation from adjacency matrix2D matrix-based descriptors
301SpMAD_Aspectral mean absolute deviation from adjacency matrix2D matrix-based descriptors
302Ho_AHosoya-like index (log function) from adjacency matrix2D matrix-based descriptors
303EE_AEstrada-like index (log function) from adjacency matrix2D matrix-based descriptors
304VE1_Acoefficient sum of the last eigenvector (absolute values) from adjacency matrix2D matrix-based descriptors
305VE2_Aaverage coefficient of the last eigenvector (absolute values) from adjacency matrix2D matrix-based descriptors
306VE3_Alogarithmic coefficient sum of the last eigenvector (absolute values) from adjacency matrix2D matrix-based descriptors
307VE1sign_Acoefficient sum of the last eigenvector from adjacency matrix2D matrix-based descriptors
308VE2sign_Aaverage coefficient of the last eigenvector from adjacency matrix2D matrix-based descriptors
309VE3sign_Alogarithmic coefficient sum of the last eigenvector from adjacency matrix2D matrix-based descriptors
310VR1_ARandic-like eigenvector-based index from adjacency matrix2D matrix-based descriptors
311VR2_Anormalized Randic-like eigenvector-based index from adjacency matrix2D matrix-based descriptors
312VR3_Alogarithmic Randic-like eigenvector-based index from adjacency matrix2D matrix-based descriptors
313Wi_DWiener-like index from topological distance matrix (Wiener index)2D matrix-based descriptors
314WiA_Daverage Wiener-like index from topological distance matrix2D matrix-based descriptors
315AVS_Daverage vertex sum from topological distance matrix2D matrix-based descriptors
316H_DHarary-like index from topological distance matrix (Harary index)2D matrix-based descriptors
317Chi_DRandic-like index from topological distance matrix2D matrix-based descriptors
318ChiA_Daverage Randic-like index from topological distance matrix2D matrix-based descriptors
319J_DBalaban-like index from topological distance matrix (Balaban distance connectivity index)2D matrix-based descriptors
320HyWi_Dhyper-Wiener-like index (log function) from topological distance matrix2D matrix-based descriptors
321SpPos_Dspectral positive sum from topological distance matrix2D matrix-based descriptors
322SpPosA_Dnormalized spectral positive sum from topological distance matrix2D matrix-based descriptors
323SpPosLog_Dlogarithmic spectral positive sum from topological distance matrix2D matrix-based descriptors
324SpMax_Dleading eigenvalue from topological distance matrix2D matrix-based descriptors
325SpMaxA_Dnormalized leading eigenvalue from topological distance matrix2D matrix-based descriptors
326SpDiam_Dspectral diameter from topological distance matrix2D matrix-based descriptors
327SpAD_Dspectral absolute deviation from topological distance matrix2D matrix-based descriptors
328SpMAD_Dspectral mean absolute deviation from topological distance matrix2D matrix-based descriptors
329Ho_DHosoya-like index (log function) from topological distance matrix2D matrix-based descriptors
330EE_DEstrada-like index (log function) from topological distance matrix2D matrix-based descriptors
331SM2_Dspectral moment of order 2 from topological distance matrix2D matrix-based descriptors
332SM3_Dspectral moment of order 3 from topological distance matrix2D matrix-based descriptors
333SM4_Dspectral moment of order 4 from topological distance matrix2D matrix-based descriptors
334SM5_Dspectral moment of order 5 from topological distance matrix2D matrix-based descriptors
335SM6_Dspectral moment of order 6 from topological distance matrix2D matrix-based descriptors
336VE1_Dcoefficient sum of the last eigenvector (absolute values) from topological distance matrix2D matrix-based descriptors
337VE2_Daverage coefficient of the last eigenvector (absolute values) from topological distance matrix2D matrix-based descriptors
338VE3_Dlogarithmic coefficient sum of the last eigenvector (absolute values) from topological distance matrix2D matrix-based descriptors
339VE1sign_Dcoefficient sum of the last eigenvector from topological distance matrix2D matrix-based descriptors
340VE2sign_Daverage coefficient of the last eigenvector from topological distance matrix2D matrix-based descriptors
341VE3sign_Dlogarithmic coefficient sum of the last eigenvector from topological distance matrix2D matrix-based descriptors
342VR1_DRandic-like eigenvector-based index from topological distance matrix2D matrix-based descriptors
343VR2_Dnormalized Randic-like eigenvector-based index from topological distance matrix2D matrix-based descriptors
344VR3_Dlogarithmic Randic-like eigenvector-based index from topological distance matrix2D matrix-based descriptors
345QW_Lquasi-Wiener index (Kirchhoff number) from Laplace matrix2D matrix-based descriptors
346TI1_Lfirst Mohar index from Laplace matrix2D matrix-based descriptors
347TI2_Lsecond Mohar index from Laplace matrix2D matrix-based descriptors
348STN_Lspanning tree number (log function) from Laplace matrix2D matrix-based descriptors
349SpPos_Lspectral positive sum from Laplace matrix2D matrix-based descriptors
350SpPosA_Lnormalized spectral positive sum from Laplace matrix2D matrix-based descriptors
351SpPosLog_Llogarithmic spectral positive sum from Laplace matrix2D matrix-based descriptors
352SpMax_Lleading eigenvalue from Laplace matrix2D matrix-based descriptors
353SpMaxA_Lnormalized leading eigenvalue from Laplace matrix2D matrix-based descriptors
354SpDiam_Lspectral diameter from Laplace matrix2D matrix-based descriptors
355SpAD_Lspectral absolute deviation from Laplace matrix2D matrix-based descriptors
356SpMAD_Lspectral mean absolute deviation from Laplace matrix2D matrix-based descriptors
357Ho_LHosoya-like index (log function) from Laplace matrix2D matrix-based descriptors
358EE_LEstrada-like index (log function) from Laplace matrix2D matrix-based descriptors
359SM2_Lspectral moment of order 2 from Laplace matrix2D matrix-based descriptors
360SM3_Lspectral moment of order 3 from Laplace matrix2D matrix-based descriptors
361SM4_Lspectral moment of order 4 from Laplace matrix2D matrix-based descriptors
362SM5_Lspectral moment of order 5 from Laplace matrix2D matrix-based descriptors
363SM6_Lspectral moment of order 6 from Laplace matrix2D matrix-based descriptors
364VE1_Lcoefficient sum of the last eigenvector (absolute values) from Laplace matrix2D matrix-based descriptors
365VE2_Laverage coefficient of the last eigenvector (absolute values) from Laplace matrix2D matrix-based descriptors
366VE3_Llogarithmic coefficient sum of the last eigenvector (absolute values) from Laplace matrix2D matrix-based descriptors
367VE1sign_Lcoefficient sum of the last eigenvector from Laplace matrix2D matrix-based descriptors
368VE2sign_Laverage coefficient of the last eigenvector from Laplace matrix2D matrix-based descriptors
369VE3sign_Llogarithmic coefficient sum of the last eigenvector from Laplace matrix2D matrix-based descriptors
370VR1_LRandic-like eigenvector-based index from Laplace matrix2D matrix-based descriptors
371VR2_Lnormalized Randic-like eigenvector-based index from Laplace matrix2D matrix-based descriptors
372VR3_Llogarithmic Randic-like eigenvector-based index from Laplace matrix2D matrix-based descriptors
373AVS_Xaverage vertex sum from chi matrix2D matrix-based descriptors
374H_XHarary-like index from chi matrix2D matrix-based descriptors
375Chi_XRandic-like index from chi matrix2D matrix-based descriptors
376ChiA_Xaverage Randic-like index from chi matrix2D matrix-based descriptors
377J_XBalaban-like index from chi matrix2D matrix-based descriptors
378HyWi_Xhyper-Wiener-like index (log function) from chi matrix2D matrix-based descriptors
379SpPos_Xspectral positive sum from chi matrix2D matrix-based descriptors
380SpPosA_Xnormalized spectral positive sum from chi matrix2D matrix-based descriptors
381SpPosLog_Xlogarithmic spectral positive sum from chi matrix2D matrix-based descriptors
382SpMax_Xleading eigenvalue from chi matrix2D matrix-based descriptors
383SpMaxA_Xnormalized leading eigenvalue from chi matrix2D matrix-based descriptors
384SpDiam_Xspectral diameter from chi matrix2D matrix-based descriptors
385SpAD_Xspectral absolute deviation from chi matrix2D matrix-based descriptors
386SpMAD_Xspectral mean absolute deviation from chi matrix2D matrix-based descriptors
387Ho_XHosoya-like index (log function) from chi matrix2D matrix-based descriptors
388EE_XEstrada-like index (log function) from chi matrix2D matrix-based descriptors
389SM2_Xspectral moment of order 2 from chi matrix2D matrix-based descriptors
390SM3_Xspectral moment of order 3 from chi matrix2D matrix-based descriptors
391SM4_Xspectral moment of order 4 from chi matrix2D matrix-based descriptors
392SM5_Xspectral moment of order 5 from chi matrix2D matrix-based descriptors
393SM6_Xspectral moment of order 6 from chi matrix2D matrix-based descriptors
394VE1_Xcoefficient sum of the last eigenvector (absolute values) from chi matrix2D matrix-based descriptors
395VE2_Xaverage coefficient of the last eigenvector (absolute values) from chi matrix2D matrix-based descriptors
396VE3_Xlogarithmic coefficient sum of the last eigenvector (absolute values) from chi matrix2D matrix-based descriptors
397VE1sign_Xcoefficient sum of the last eigenvector from chi matrix2D matrix-based descriptors
398VE2sign_Xaverage coefficient of the last eigenvector from chi matrix2D matrix-based descriptors
399VE3sign_Xlogarithmic coefficient sum of the last eigenvector from chi matrix2D matrix-based descriptors
400VR1_XRandic-like eigenvector-based index from chi matrix2D matrix-based descriptors
401VR2_Xnormalized Randic-like eigenvector-based index from chi matrix2D matrix-based descriptors
402VR3_Xlogarithmic Randic-like eigenvector-based index from chi matrix2D matrix-based descriptors
403Wi_H2Wiener-like index from reciprocal squared distance matrix2D matrix-based descriptors
404WiA_H2average Wiener-like index from reciprocal squared distance matrix2D matrix-based descriptors
405AVS_H2average vertex sum from reciprocal squared distance matrix2D matrix-based descriptors
406Chi_H2Randic-like index from reciprocal squared distance matrix2D matrix-based descriptors
407ChiA_H2average Randic-like index from reciprocal squared distance matrix2D matrix-based descriptors
408J_H2Balaban-like index from reciprocal squared distance matrix2D matrix-based descriptors
409HyWi_H2hyper-Wiener-like index (log function) from reciprocal squared distance matrix2D matrix-based descriptors
410SpPos_H2spectral positive sum from reciprocal squared distance matrix2D matrix-based descriptors
411SpPosA_H2normalized spectral positive sum from reciprocal squared distance matrix2D matrix-based descriptors
412SpPosLog_H2logarithmic spectral positive sum from reciprocal squared distance matrix2D matrix-based descriptors
413SpMax_H2leading eigenvalue from reciprocal squared distance matrix2D matrix-based descriptors
414SpMaxA_H2normalized leading eigenvalue from reciprocal squared distance matrix2D matrix-based descriptors
415SpDiam_H2spectral diameter from reciprocal squared distance matrix2D matrix-based descriptors
416SpAD_H2spectral absolute deviation from reciprocal squared distance matrix2D matrix-based descriptors
417SpMAD_H2spectral mean absolute deviation from reciprocal squared distance matrix2D matrix-based descriptors
418Ho_H2Hosoya-like index (log function) from reciprocal squared distance matrix2D matrix-based descriptors
419EE_H2Estrada-like index (log function) from reciprocal squared distance matrix2D matrix-based descriptors
420SM2_H2spectral moment of order 2 from reciprocal squared distance matrix2D matrix-based descriptors
421SM3_H2spectral moment of order 3 from reciprocal squared distance matrix2D matrix-based descriptors
422SM4_H2spectral moment of order 4 from reciprocal squared distance matrix2D matrix-based descriptors
423SM5_H2spectral moment of order 5 from reciprocal squared distance matrix2D matrix-based descriptors
424SM6_H2spectral moment of order 6 from reciprocal squared distance matrix2D matrix-based descriptors
425VE1_H2coefficient sum of the last eigenvector (absolute values) from reciprocal squared distance matrix2D matrix-based descriptors
426VE2_H2average coefficient of the last eigenvector (absolute values) from reciprocal squared distance matrix2D matrix-based descriptors
427VE3_H2logarithmic coefficient sum of the last eigenvector (absolute values) from reciprocal squared distance matrix2D matrix-based descriptors
428VE1sign_H2coefficient sum of the last eigenvector from reciprocal squared distance matrix2D matrix-based descriptors
429VE2sign_H2average coefficient of the last eigenvector from reciprocal squared distance matrix2D matrix-based descriptors
430VE3sign_H2logarithmic coefficient sum of the last eigenvector from reciprocal squared distance matrix2D matrix-based descriptors
431VR1_H2Randic-like eigenvector-based index from reciprocal squared distance matrix2D matrix-based descriptors
432VR2_H2normalized Randic-like eigenvector-based index from reciprocal squared distance matrix2D matrix-based descriptors
433VR3_H2logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix2D matrix-based descriptors
434Wi_DtWiener-like index from detour matrix (detour index)2D matrix-based descriptors
435WiA_Dtaverage Wiener-like index from detour matrix2D matrix-based descriptors
436AVS_Dtaverage vertex sum from detour matrix2D matrix-based descriptors
437H_DtHarary-like index from detour matrix2D matrix-based descriptors
438Chi_DtRandic-like index from detour matrix2D matrix-based descriptors
439ChiA_Dtaverage Randic-like index from detour matrix2D matrix-based descriptors
440J_DtBalaban-like index from detour matrix2D matrix-based descriptors
441HyWi_Dthyper-Wiener-like index (log function) from detour matrix2D matrix-based descriptors
442SpPos_Dtspectral positive sum from detour matrix2D matrix-based descriptors
443SpPosA_Dtnormalized spectral positive sum from detour matrix2D matrix-based descriptors
444SpPosLog_Dtlogarithmic spectral positive sum from detour matrix2D matrix-based descriptors
445SpMax_Dtleading eigenvalue from detour matrix2D matrix-based descriptors
446SpMaxA_Dtnormalized leading eigenvalue from detour matrix2D matrix-based descriptors
447SpDiam_Dtspectral diameter from detour matrix2D matrix-based descriptors
448SpAD_Dtspectral absolute deviation from detour matrix2D matrix-based descriptors
449SpMAD_Dtspectral mean absolute deviation from detour matrix2D matrix-based descriptors
450Ho_DtHosoya-like index (log function) from detour matrix2D matrix-based descriptors
451EE_DtEstrada-like index (log function) from detour matrix2D matrix-based descriptors
452SM2_Dtspectral moment of order 2 from detour matrix2D matrix-based descriptors
453SM3_Dtspectral moment of order 3 from detour matrix2D matrix-based descriptors
454SM4_Dtspectral moment of order 4 from detour matrix2D matrix-based descriptors
455SM5_Dtspectral moment of order 5 from detour matrix2D matrix-based descriptors
456SM6_Dtspectral moment of order 6 from detour matrix2D matrix-based descriptors
457VE1_Dtcoefficient sum of the last eigenvector (absolute values) from detour matrix2D matrix-based descriptors
458VE2_Dtaverage coefficient of the last eigenvector (absolute values) from detour matrix2D matrix-based descriptors
459VE3_Dtlogarithmic coefficient sum of the last eigenvector (absolute values) from detour matrix2D matrix-based descriptors
460VE1sign_Dtcoefficient sum of the last eigenvector from detour matrix2D matrix-based descriptors
461VE2sign_Dtaverage coefficient of the last eigenvector from detour matrix2D matrix-based descriptors
462VE3sign_Dtlogarithmic coefficient sum of the last eigenvector from detour matrix2D matrix-based descriptors
463VR1_DtRandic-like eigenvector-based index from detour matrix2D matrix-based descriptors
464VR2_Dtnormalized Randic-like eigenvector-based index from detour matrix2D matrix-based descriptors
465VR3_Dtlogarithmic Randic-like eigenvector-based index from detour matrix2D matrix-based descriptors
466Wi_D/DtWiener-like index from distance/detour matrix2D matrix-based descriptors
467WiA_D/Dtaverage Wiener-like index from distance/detour matrix2D matrix-based descriptors
468AVS_D/Dtaverage vertex sum from distance/detour matrix2D matrix-based descriptors
469H_D/DtHarary-like index from distance/detour matrix2D matrix-based descriptors
470Chi_D/DtRandic-like index from distance/detour matrix2D matrix-based descriptors
471ChiA_D/Dtaverage Randic-like index from distance/detour matrix2D matrix-based descriptors
472J_D/DtBalaban-like index from distance/detour matrix2D matrix-based descriptors
473HyWi_D/Dthyper-Wiener-like index (log function) from distance/detour matrix2D matrix-based descriptors
474SpPos_D/Dtspectral positive sum from distance/detour matrix2D matrix-based descriptors
475SpPosA_D/Dtnormalized spectral positive sum from distance/detour matrix2D matrix-based descriptors
476SpPosLog_D/Dtlogarithmic spectral positive sum from distance/detour matrix2D matrix-based descriptors
477SpMax_D/Dtleading eigenvalue from distance/detour matrix2D matrix-based descriptors
478SpMaxA_D/Dtnormalized leading eigenvalue from distance/detour matrix2D matrix-based descriptors
479SpDiam_D/Dtspectral diameter from distance/detour matrix2D matrix-based descriptors
480SpAD_D/Dtspectral absolute deviation from distance/detour matrix2D matrix-based descriptors
481SpMAD_D/Dtspectral mean absolute deviation from distance/detour matrix2D matrix-based descriptors
482Ho_D/DtHosoya-like index (log function) from distance/detour matrix2D matrix-based descriptors
483EE_D/DtEstrada-like index (log function) from distance/detour matrix2D matrix-based descriptors
484SM2_D/Dtspectral moment of order 2 from distance/detour matrix2D matrix-based descriptors
485SM3_D/Dtspectral moment of order 3 from distance/detour matrix2D matrix-based descriptors
486SM4_D/Dtspectral moment of order 4 from distance/detour matrix2D matrix-based descriptors
487SM5_D/Dtspectral moment of order 5 from distance/detour matrix2D matrix-based descriptors
488SM6_D/Dtspectral moment of order 6 from distance/detour matrix2D matrix-based descriptors
489VE1_D/Dtcoefficient sum of the last eigenvector (absolute values) from distance/detour matrix2D matrix-based descriptors
490VE2_D/Dtaverage coefficient of the last eigenvector (absolute values) from distance/detour matrix2D matrix-based descriptors
491VE3_D/Dtlogarithmic coefficient sum of the last eigenvector (absolute values) from distance/detour matrix2D matrix-based descriptors
492VE1sign_D/Dtcoefficient sum of the last eigenvector from distance/detour matrix2D matrix-based descriptors
493VE2sign_D/Dtaverage coefficient of the last eigenvector from distance/detour matrix2D matrix-based descriptors
494VE3sign_D/Dtlogarithmic coefficient sum of the last eigenvector from distance/detour matrix2D matrix-based descriptors
495VR1_D/DtRandic-like eigenvector-based index from distance/detour matrix2D matrix-based descriptors
496VR2_D/Dtnormalized Randic-like eigenvector-based index from distance/detour matrix2D matrix-based descriptors
497VR3_D/Dtlogarithmic Randic-like eigenvector-based index from distance/detour matrix2D matrix-based descriptors
498Wi_Dz(Z)Wiener-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
499WiA_Dz(Z)average Wiener-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
500AVS_Dz(Z)average vertex sum from Barysz matrix weighted by atomic number2D matrix-based descriptors
501H_Dz(Z)Harary-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
502Chi_Dz(Z)Randic-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
503ChiA_Dz(Z)average Randic-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
504J_Dz(Z)Balaban-like index from Barysz matrix weighted by atomic number2D matrix-based descriptors
505HyWi_Dz(Z)hyper-Wiener-like index (log function) from Barysz matrix weighted by atomic number2D matrix-based descriptors
506SpAbs_Dz(Z)graph energy from Barysz matrix weighted by atomic number2D matrix-based descriptors
507SpPos_Dz(Z)spectral positive sum from Barysz matrix weighted by atomic number2D matrix-based descriptors
508SpPosA_Dz(Z)normalized spectral positive sum from Barysz matrix weighted by atomic number2D matrix-based descriptors
509SpPosLog_Dz(Z)logarithmic spectral positive sum from Barysz matrix weighted by atomic number2D matrix-based descriptors
510SpMax_Dz(Z)leading eigenvalue from Barysz matrix weighted by atomic number2D matrix-based descriptors
511SpMaxA_Dz(Z)normalized leading eigenvalue from Barysz matrix weighted by atomic number2D matrix-based descriptors
512SpDiam_Dz(Z)spectral diameter from Barysz matrix weighted by atomic number2D matrix-based descriptors
513SpAD_Dz(Z)spectral absolute deviation from Barysz matrix weighted by atomic number2D matrix-based descriptors
514SpMAD_Dz(Z)spectral mean absolute deviation from Barysz matrix weighted by atomic number2D matrix-based descriptors
515Ho_Dz(Z)Hosoya-like index (log function) from Barysz matrix weighted by atomic number2D matrix-based descriptors
516EE_Dz(Z)Estrada-like index (log function) from Barysz matrix weighted by atomic number2D matrix-based descriptors
517SM1_Dz(Z)spectral moment of order 1 from Barysz matrix weighted by atomic number2D matrix-based descriptors
518SM2_Dz(Z)spectral moment of order 2 from Barysz matrix weighted by atomic number2D matrix-based descriptors
519SM3_Dz(Z)spectral moment of order 3 from Barysz matrix weighted by atomic number2D matrix-based descriptors
520SM4_Dz(Z)spectral moment of order 4 from Barysz matrix weighted by atomic number2D matrix-based descriptors
521SM5_Dz(Z)spectral moment of order 5 from Barysz matrix weighted by atomic number2D matrix-based descriptors
522SM6_Dz(Z)spectral moment of order 6 from Barysz matrix weighted by atomic number2D matrix-based descriptors
523VE1_Dz(Z)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number2D matrix-based descriptors
524VE2_Dz(Z)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number2D matrix-based descriptors
525VE3_Dz(Z)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by atomic number2D matrix-based descriptors
526VE1sign_Dz(Z)coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number2D matrix-based descriptors
527VE2sign_Dz(Z)average coefficient of the last eigenvector from Barysz matrix weighted by atomic number2D matrix-based descriptors
528VE3sign_Dz(Z)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number2D matrix-based descriptors
529VR1_Dz(Z)Randic-like eigenvector-based index from Barysz matrix weighted by atomic number2D matrix-based descriptors
530VR2_Dz(Z)normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number2D matrix-based descriptors
531VR3_Dz(Z)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number2D matrix-based descriptors
532Wi_Dz(m)Wiener-like index from Barysz matrix weighted by mass2D matrix-based descriptors
533WiA_Dz(m)average Wiener-like index from Barysz matrix weighted by mass2D matrix-based descriptors
534AVS_Dz(m)average vertex sum from Barysz matrix weighted by mass2D matrix-based descriptors
535H_Dz(m)Harary-like index from Barysz matrix weighted by mass2D matrix-based descriptors
536Chi_Dz(m)Randic-like index from Barysz matrix weighted by mass2D matrix-based descriptors
537ChiA_Dz(m)average Randic-like index from Barysz matrix weighted by mass2D matrix-based descriptors
538J_Dz(m)Balaban-like index from Barysz matrix weighted by mass2D matrix-based descriptors
539HyWi_Dz(m)hyper-Wiener-like index (log function) from Barysz matrix weighted by mass2D matrix-based descriptors
540SpAbs_Dz(m)graph energy from Barysz matrix weighted by mass2D matrix-based descriptors
541SpPos_Dz(m)spectral positive sum from Barysz matrix weighted by mass2D matrix-based descriptors
542SpPosA_Dz(m)normalized spectral positive sum from Barysz matrix weighted by mass2D matrix-based descriptors
543SpPosLog_Dz(m)logarithmic spectral positive sum from Barysz matrix weighted by mass2D matrix-based descriptors
544SpMax_Dz(m)leading eigenvalue from Barysz matrix weighted by mass2D matrix-based descriptors
545SpMaxA_Dz(m)normalized leading eigenvalue from Barysz matrix weighted by mass2D matrix-based descriptors
546SpDiam_Dz(m)spectral diameter from Barysz matrix weighted by mass2D matrix-based descriptors
547SpAD_Dz(m)spectral absolute deviation from Barysz matrix weighted by mass2D matrix-based descriptors
548SpMAD_Dz(m)spectral mean absolute deviation from Barysz matrix weighted by mass2D matrix-based descriptors
549Ho_Dz(m)Hosoya-like index (log function) from Barysz matrix weighted by mass2D matrix-based descriptors
550EE_Dz(m)Estrada-like index (log function) from Barysz matrix weighted by mass2D matrix-based descriptors
551SM1_Dz(m)spectral moment of order 1 from Barysz matrix weighted by mass2D matrix-based descriptors
552SM2_Dz(m)spectral moment of order 2 from Barysz matrix weighted by mass2D matrix-based descriptors
553SM3_Dz(m)spectral moment of order 3 from Barysz matrix weighted by mass2D matrix-based descriptors
554SM4_Dz(m)spectral moment of order 4 from Barysz matrix weighted by mass2D matrix-based descriptors
555SM5_Dz(m)spectral moment of order 5 from Barysz matrix weighted by mass2D matrix-based descriptors
556SM6_Dz(m)spectral moment of order 6 from Barysz matrix weighted by mass2D matrix-based descriptors
557VE1_Dz(m)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by mass2D matrix-based descriptors
558VE2_Dz(m)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by mass2D matrix-based descriptors
559VE3_Dz(m)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by mass2D matrix-based descriptors
560VE1sign_Dz(m)coefficient sum of the last eigenvector from Barysz matrix weighted by mass2D matrix-based descriptors
561VE2sign_Dz(m)average coefficient of the last eigenvector from Barysz matrix weighted by mass2D matrix-based descriptors
562VE3sign_Dz(m)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass2D matrix-based descriptors
563VR1_Dz(m)Randic-like eigenvector-based index from Barysz matrix weighted by mass2D matrix-based descriptors
564VR2_Dz(m)normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass2D matrix-based descriptors
565VR3_Dz(m)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass2D matrix-based descriptors
566Wi_Dz(v)Wiener-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
567WiA_Dz(v)average Wiener-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
568AVS_Dz(v)average vertex sum from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
569H_Dz(v)Harary-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
570Chi_Dz(v)Randic-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
571ChiA_Dz(v)average Randic-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
572J_Dz(v)Balaban-like index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
573HyWi_Dz(v)hyper-Wiener-like index (log function) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
574SpAbs_Dz(v)graph energy from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
575SpPos_Dz(v)spectral positive sum from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
576SpPosA_Dz(v)normalized spectral positive sum from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
577SpPosLog_Dz(v)logarithmic spectral positive sum from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
578SpMax_Dz(v)leading eigenvalue from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
579SpMaxA_Dz(v)normalized leading eigenvalue from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
580SpDiam_Dz(v)spectral diameter from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
581SpAD_Dz(v)spectral absolute deviation from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
582SpMAD_Dz(v)spectral mean absolute deviation from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
583Ho_Dz(v)Hosoya-like index (log function) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
584EE_Dz(v)Estrada-like index (log function) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
585SM1_Dz(v)spectral moment of order 1 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
586SM2_Dz(v)spectral moment of order 2 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
587SM3_Dz(v)spectral moment of order 3 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
588SM4_Dz(v)spectral moment of order 4 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
589SM5_Dz(v)spectral moment of order 5 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
590SM6_Dz(v)spectral moment of order 6 from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
591VE1_Dz(v)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
592VE2_Dz(v)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
593VE3_Dz(v)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
594VE1sign_Dz(v)coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
595VE2sign_Dz(v)average coefficient of the last eigenvector from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
596VE3sign_Dz(v)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
597VR1_Dz(v)Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
598VR2_Dz(v)normalized Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
599VR3_Dz(v)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume2D matrix-based descriptors
600Wi_Dz(e)Wiener-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
601WiA_Dz(e)average Wiener-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
602AVS_Dz(e)average vertex sum from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
603H_Dz(e)Harary-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
604Chi_Dz(e)Randic-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
605ChiA_Dz(e)average Randic-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
606J_Dz(e)Balaban-like index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
607HyWi_Dz(e)hyper-Wiener-like index (log function) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
608SpAbs_Dz(e)graph energy from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
609SpPos_Dz(e)spectral positive sum from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
610SpPosA_Dz(e)normalized spectral positive sum from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
611SpPosLog_Dz(e)logarithmic spectral positive sum from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
612SpMax_Dz(e)leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
613SpMaxA_Dz(e)normalized leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
614SpDiam_Dz(e)spectral diameter from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
615SpAD_Dz(e)spectral absolute deviation from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
616SpMAD_Dz(e)spectral mean absolute deviation from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
617Ho_Dz(e)Hosoya-like index (log function) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
618EE_Dz(e)Estrada-like index (log function) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
619SM1_Dz(e)spectral moment of order 1 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
620SM2_Dz(e)spectral moment of order 2 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
621SM3_Dz(e)spectral moment of order 3 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
622SM4_Dz(e)spectral moment of order 4 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
623SM5_Dz(e)spectral moment of order 5 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
624SM6_Dz(e)spectral moment of order 6 from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
625VE1_Dz(e)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
626VE2_Dz(e)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
627VE3_Dz(e)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
628VE1sign_Dz(e)coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
629VE2sign_Dz(e)average coefficient of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
630VE3sign_Dz(e)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
631VR1_Dz(e)Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
632VR2_Dz(e)normalized Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
633VR3_Dz(e)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity2D matrix-based descriptors
634Wi_Dz(p)Wiener-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
635WiA_Dz(p)average Wiener-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
636AVS_Dz(p)average vertex sum from Barysz matrix weighted by polarizability2D matrix-based descriptors
637H_Dz(p)Harary-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
638Chi_Dz(p)Randic-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
639ChiA_Dz(p)average Randic-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
640J_Dz(p)Balaban-like index from Barysz matrix weighted by polarizability2D matrix-based descriptors
641HyWi_Dz(p)hyper-Wiener-like index (log function) from Barysz matrix weighted by polarizability2D matrix-based descriptors
642SpAbs_Dz(p)graph energy from Barysz matrix weighted by polarizability2D matrix-based descriptors
643SpPos_Dz(p)spectral positive sum from Barysz matrix weighted by polarizability2D matrix-based descriptors
644SpPosA_Dz(p)normalized spectral positive sum from Barysz matrix weighted by polarizability2D matrix-based descriptors
645SpPosLog_Dz(p)logarithmic spectral positive sum from Barysz matrix weighted by polarizability2D matrix-based descriptors
646SpMax_Dz(p)leading eigenvalue from Barysz matrix weighted by polarizability2D matrix-based descriptors
647SpMaxA_Dz(p)normalized leading eigenvalue from Barysz matrix weighted by polarizability2D matrix-based descriptors
648SpDiam_Dz(p)spectral diameter from Barysz matrix weighted by polarizability2D matrix-based descriptors
649SpAD_Dz(p)spectral absolute deviation from Barysz matrix weighted by polarizability2D matrix-based descriptors
650SpMAD_Dz(p)spectral mean absolute deviation from Barysz matrix weighted by polarizability2D matrix-based descriptors
651Ho_Dz(p)Hosoya-like index (log function) from Barysz matrix weighted by polarizability2D matrix-based descriptors
652EE_Dz(p)Estrada-like index (log function) from Barysz matrix weighted by polarizability2D matrix-based descriptors
653SM1_Dz(p)spectral moment of order 1 from Barysz matrix weighted by polarizability2D matrix-based descriptors
654SM2_Dz(p)spectral moment of order 2 from Barysz matrix weighted by polarizability2D matrix-based descriptors
655SM3_Dz(p)spectral moment of order 3 from Barysz matrix weighted by polarizability2D matrix-based descriptors
656SM4_Dz(p)spectral moment of order 4 from Barysz matrix weighted by polarizability2D matrix-based descriptors
657SM5_Dz(p)spectral moment of order 5 from Barysz matrix weighted by polarizability2D matrix-based descriptors
658SM6_Dz(p)spectral moment of order 6 from Barysz matrix weighted by polarizability2D matrix-based descriptors
659VE1_Dz(p)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability2D matrix-based descriptors
660VE2_Dz(p)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability2D matrix-based descriptors
661VE3_Dz(p)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by polarizability2D matrix-based descriptors
662VE1sign_Dz(p)coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability2D matrix-based descriptors
663VE2sign_Dz(p)average coefficient of the last eigenvector from Barysz matrix weighted by polarizability2D matrix-based descriptors
664VE3sign_Dz(p)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability2D matrix-based descriptors
665VR1_Dz(p)Randic-like eigenvector-based index from Barysz matrix weighted by polarizability2D matrix-based descriptors
666VR2_Dz(p)normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability2D matrix-based descriptors
667VR3_Dz(p)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability2D matrix-based descriptors
668Wi_Dz(i)Wiener-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
669WiA_Dz(i)average Wiener-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
670AVS_Dz(i)average vertex sum from Barysz matrix weighted by ionization potential2D matrix-based descriptors
671H_Dz(i)Harary-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
672Chi_Dz(i)Randic-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
673ChiA_Dz(i)average Randic-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
674J_Dz(i)Balaban-like index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
675HyWi_Dz(i)hyper-Wiener-like index (log function) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
676SpAbs_Dz(i)graph energy from Barysz matrix weighted by ionization potential2D matrix-based descriptors
677SpPos_Dz(i)spectral positive sum from Barysz matrix weighted by ionization potential2D matrix-based descriptors
678SpPosA_Dz(i)normalized spectral positive sum from Barysz matrix weighted by ionization potential2D matrix-based descriptors
679SpPosLog_Dz(i)logarithmic spectral positive sum from Barysz matrix weighted by ionization potential2D matrix-based descriptors
680SpMax_Dz(i)leading eigenvalue from Barysz matrix weighted by ionization potential2D matrix-based descriptors
681SpMaxA_Dz(i)normalized leading eigenvalue from Barysz matrix weighted by ionization potential2D matrix-based descriptors
682SpDiam_Dz(i)spectral diameter from Barysz matrix weighted by ionization potential2D matrix-based descriptors
683SpAD_Dz(i)spectral absolute deviation from Barysz matrix weighted by ionization potential2D matrix-based descriptors
684SpMAD_Dz(i)spectral mean absolute deviation from Barysz matrix weighted by ionization potential2D matrix-based descriptors
685Ho_Dz(i)Hosoya-like index (log function) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
686EE_Dz(i)Estrada-like index (log function) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
687SM1_Dz(i)spectral moment of order 1 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
688SM2_Dz(i)spectral moment of order 2 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
689SM3_Dz(i)spectral moment of order 3 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
690SM4_Dz(i)spectral moment of order 4 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
691SM5_Dz(i)spectral moment of order 5 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
692SM6_Dz(i)spectral moment of order 6 from Barysz matrix weighted by ionization potential2D matrix-based descriptors
693VE1_Dz(i)coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
694VE2_Dz(i)average coefficient of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
695VE3_Dz(i)logarithmic coefficient sum of the last eigenvector (absolute values) from Barysz matrix weighted by ionization potential2D matrix-based descriptors
696VE1sign_Dz(i)coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential2D matrix-based descriptors
697VE2sign_Dz(i)average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential2D matrix-based descriptors
698VE3sign_Dz(i)logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential2D matrix-based descriptors
699VR1_Dz(i)Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
700VR2_Dz(i)normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
701VR3_Dz(i)logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential2D matrix-based descriptors
702Wi_B(m)Wiener-like index from Burden matrix weighted by mass2D matrix-based descriptors
703WiA_B(m)average Wiener-like index from Burden matrix weighted by mass2D matrix-based descriptors
704AVS_B(m)average vertex sum from Burden matrix weighted by mass2D matrix-based descriptors
705Chi_B(m)Randic-like index from Burden matrix weighted by mass2D matrix-based descriptors
706ChiA_B(m)average Randic-like index from Burden matrix weighted by mass2D matrix-based descriptors
707J_B(m)Balaban-like index from Burden matrix weighted by mass2D matrix-based descriptors
708HyWi_B(m)hyper-Wiener-like index (log function) from Burden matrix weighted by mass2D matrix-based descriptors
709SpAbs_B(m)graph energy from Burden matrix weighted by mass2D matrix-based descriptors
710SpPos_B(m)spectral positive sum from Burden matrix weighted by mass2D matrix-based descriptors
711SpPosA_B(m)normalized spectral positive sum from Burden matrix weighted by mass2D matrix-based descriptors
712SpPosLog_B(m)logarithmic spectral positive sum from Burden matrix weighted by mass2D matrix-based descriptors
713SpMax_B(m)leading eigenvalue from Burden matrix weighted by mass2D matrix-based descriptors
714SpMaxA_B(m)normalized leading eigenvalue from Burden matrix weighted by mass2D matrix-based descriptors
715SpDiam_B(m)spectral diameter from Burden matrix weighted by mass2D matrix-based descriptors
716SpAD_B(m)spectral absolute deviation from Burden matrix weighted by mass2D matrix-based descriptors
717SpMAD_B(m)spectral mean absolute deviation from Burden matrix weighted by mass2D matrix-based descriptors
718Ho_B(m)Hosoya-like index (log function) from Burden matrix weighted by mass2D matrix-based descriptors
719EE_B(m)Estrada-like index (log function) from Burden matrix weighted by mass2D matrix-based descriptors
720SM1_B(m)spectral moment of order 1 from Burden matrix weighted by mass2D matrix-based descriptors
721SM2_B(m)spectral moment of order 2 from Burden matrix weighted by mass2D matrix-based descriptors
722SM3_B(m)spectral moment of order 3 from Burden matrix weighted by mass2D matrix-based descriptors
723SM4_B(m)spectral moment of order 4 from Burden matrix weighted by mass2D matrix-based descriptors
724SM5_B(m)spectral moment of order 5 from Burden matrix weighted by mass2D matrix-based descriptors
725SM6_B(m)spectral moment of order 6 from Burden matrix weighted by mass2D matrix-based descriptors
726VE1_B(m)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by mass2D matrix-based descriptors
727VE2_B(m)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by mass2D matrix-based descriptors
728VE3_B(m)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by mass2D matrix-based descriptors
729VE1sign_B(m)coefficient sum of the last eigenvector from Burden matrix weighted by mass2D matrix-based descriptors
730VE2sign_B(m)average coefficient of the last eigenvector from Burden matrix weighted by mass2D matrix-based descriptors
731VE3sign_B(m)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by mass2D matrix-based descriptors
732VR1_B(m)Randic-like eigenvector-based index from Burden matrix weighted by mass2D matrix-based descriptors
733VR2_B(m)normalized Randic-like eigenvector-based index from Burden matrix weighted by mass2D matrix-based descriptors
734VR3_B(m)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by mass2D matrix-based descriptors
735Wi_B(v)Wiener-like index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
736WiA_B(v)average Wiener-like index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
737AVS_B(v)average vertex sum from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
738Chi_B(v)Randic-like index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
739ChiA_B(v)average Randic-like index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
740J_B(v)Balaban-like index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
741HyWi_B(v)hyper-Wiener-like index (log function) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
742SpAbs_B(v)graph energy from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
743SpPos_B(v)spectral positive sum from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
744SpPosA_B(v)normalized spectral positive sum from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
745SpPosLog_B(v)logarithmic spectral positive sum from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
746SpMax_B(v)leading eigenvalue from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
747SpMaxA_B(v)normalized leading eigenvalue from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
748SpDiam_B(v)spectral diameter from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
749SpAD_B(v)spectral absolute deviation from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
750SpMAD_B(v)spectral mean absolute deviation from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
751Ho_B(v)Hosoya-like index (log function) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
752EE_B(v)Estrada-like index (log function) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
753SM1_B(v)spectral moment of order 1 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
754SM2_B(v)spectral moment of order 2 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
755SM3_B(v)spectral moment of order 3 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
756SM4_B(v)spectral moment of order 4 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
757SM5_B(v)spectral moment of order 5 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
758SM6_B(v)spectral moment of order 6 from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
759VE1_B(v)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
760VE2_B(v)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
761VE3_B(v)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
762VE1sign_B(v)coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
763VE2sign_B(v)average coefficient of the last eigenvector from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
764VE3sign_B(v)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
765VR1_B(v)Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
766VR2_B(v)normalized Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
767VR3_B(v)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by van der Waals volume2D matrix-based descriptors
768Wi_B(e)Wiener-like index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
769WiA_B(e)average Wiener-like index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
770AVS_B(e)average vertex sum from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
771Chi_B(e)Randic-like index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
772ChiA_B(e)average Randic-like index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
773J_B(e)Balaban-like index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
774HyWi_B(e)hyper-Wiener-like index (log function) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
775SpAbs_B(e)graph energy from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
776SpPos_B(e)spectral positive sum from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
777SpPosA_B(e)normalized spectral positive sum from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
778SpPosLog_B(e)logarithmic spectral positive sum from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
779SpMax_B(e)leading eigenvalue from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
780SpMaxA_B(e)normalized leading eigenvalue from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
781SpDiam_B(e)spectral diameter from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
782SpAD_B(e)spectral absolute deviation from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
783SpMAD_B(e)spectral mean absolute deviation from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
784Ho_B(e)Hosoya-like index (log function) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
785EE_B(e)Estrada-like index (log function) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
786SM1_B(e)spectral moment of order 1 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
787SM2_B(e)spectral moment of order 2 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
788SM3_B(e)spectral moment of order 3 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
789SM4_B(e)spectral moment of order 4 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
790SM5_B(e)spectral moment of order 5 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
791SM6_B(e)spectral moment of order 6 from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
792VE1_B(e)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
793VE2_B(e)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
794VE3_B(e)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
795VE1sign_B(e)coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
796VE2sign_B(e)average coefficient of the last eigenvector from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
797VE3sign_B(e)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
798VR1_B(e)Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
799VR2_B(e)normalized Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
800VR3_B(e)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by Sanderson electronegativity2D matrix-based descriptors
801Wi_B(p)Wiener-like index from Burden matrix weighted by polarizability2D matrix-based descriptors
802WiA_B(p)average Wiener-like index from Burden matrix weighted by polarizability2D matrix-based descriptors
803AVS_B(p)average vertex sum from Burden matrix weighted by polarizability2D matrix-based descriptors
804Chi_B(p)Randic-like index from Burden matrix weighted by polarizability2D matrix-based descriptors
805ChiA_B(p)average Randic-like index from Burden matrix weighted by polarizability2D matrix-based descriptors
806J_B(p)Balaban-like index from Burden matrix weighted by polarizability2D matrix-based descriptors
807HyWi_B(p)hyper-Wiener-like index (log function) from Burden matrix weighted by polarizability2D matrix-based descriptors
808SpAbs_B(p)graph energy from Burden matrix weighted by polarizability2D matrix-based descriptors
809SpPos_B(p)spectral positive sum from Burden matrix weighted by polarizability2D matrix-based descriptors
810SpPosA_B(p)normalized spectral positive sum from Burden matrix weighted by polarizability2D matrix-based descriptors
811SpPosLog_B(p)logarithmic spectral positive sum from Burden matrix weighted by polarizability2D matrix-based descriptors
812SpMax_B(p)leading eigenvalue from Burden matrix weighted by polarizability2D matrix-based descriptors
813SpMaxA_B(p)normalized leading eigenvalue from Burden matrix weighted by polarizability2D matrix-based descriptors
814SpDiam_B(p)spectral diameter from Burden matrix weighted by polarizability2D matrix-based descriptors
815SpAD_B(p)spectral absolute deviation from Burden matrix weighted by polarizability2D matrix-based descriptors
816SpMAD_B(p)spectral mean absolute deviation from Burden matrix weighted by polarizability2D matrix-based descriptors
817Ho_B(p)Hosoya-like index (log function) from Burden matrix weighted by polarizability2D matrix-based descriptors
818EE_B(p)Estrada-like index (log function) from Burden matrix weighted by polarizability2D matrix-based descriptors
819SM1_B(p)spectral moment of order 1 from Burden matrix weighted by polarizability2D matrix-based descriptors
820SM2_B(p)spectral moment of order 2 from Burden matrix weighted by polarizability2D matrix-based descriptors
821SM3_B(p)spectral moment of order 3 from Burden matrix weighted by polarizability2D matrix-based descriptors
822SM4_B(p)spectral moment of order 4 from Burden matrix weighted by polarizability2D matrix-based descriptors
823SM5_B(p)spectral moment of order 5 from Burden matrix weighted by polarizability2D matrix-based descriptors
824SM6_B(p)spectral moment of order 6 from Burden matrix weighted by polarizability2D matrix-based descriptors
825VE1_B(p)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by polarizability2D matrix-based descriptors
826VE2_B(p)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by polarizability2D matrix-based descriptors
827VE3_B(p)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by polarizability2D matrix-based descriptors
828VE1sign_B(p)coefficient sum of the last eigenvector from Burden matrix weighted by polarizability2D matrix-based descriptors
829VE2sign_B(p)average coefficient of the last eigenvector from Burden matrix weighted by polarizability2D matrix-based descriptors
830VE3sign_B(p)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by polarizability2D matrix-based descriptors
831VR1_B(p)Randic-like eigenvector-based index from Burden matrix weighted by polarizability2D matrix-based descriptors
832VR2_B(p)normalized Randic-like eigenvector-based index from Burden matrix weighted by polarizability2D matrix-based descriptors
833VR3_B(p)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by polarizability2D matrix-based descriptors
834Wi_B(i)Wiener-like index from Burden matrix weighted by ionization potential2D matrix-based descriptors
835WiA_B(i)average Wiener-like index from Burden matrix weighted by ionization potential2D matrix-based descriptors
836AVS_B(i)average vertex sum from Burden matrix weighted by ionization potential2D matrix-based descriptors
837Chi_B(i)Randic-like index from Burden matrix weighted by ionization potential2D matrix-based descriptors
838ChiA_B(i)average Randic-like index from Burden matrix weighted by ionization potential2D matrix-based descriptors
839J_B(i)Balaban-like index from Burden matrix weighted by ionization potential2D matrix-based descriptors
840HyWi_B(i)hyper-Wiener-like index (log function) from Burden matrix weighted by ionization potential2D matrix-based descriptors
841SpAbs_B(i)graph energy from Burden matrix weighted by ionization potential2D matrix-based descriptors
842SpPos_B(i)spectral positive sum from Burden matrix weighted by ionization potential2D matrix-based descriptors
843SpPosA_B(i)normalized spectral positive sum from Burden matrix weighted by ionization potential2D matrix-based descriptors
844SpPosLog_B(i)logarithmic spectral positive sum from Burden matrix weighted by ionization potential2D matrix-based descriptors
845SpMax_B(i)leading eigenvalue from Burden matrix weighted by ionization potential2D matrix-based descriptors
846SpMaxA_B(i)normalized leading eigenvalue from Burden matrix weighted by ionization potential2D matrix-based descriptors
847SpDiam_B(i)spectral diameter from Burden matrix weighted by ionization potential2D matrix-based descriptors
848SpAD_B(i)spectral absolute deviation from Burden matrix weighted by ionization potential2D matrix-based descriptors
849SpMAD_B(i)spectral mean absolute deviation from Burden matrix weighted by ionization potential2D matrix-based descriptors
850Ho_B(i)Hosoya-like index (log function) from Burden matrix weighted by ionization potential2D matrix-based descriptors
851EE_B(i)Estrada-like index (log function) from Burden matrix weighted by ionization potential2D matrix-based descriptors
852SM1_B(i)spectral moment of order 1 from Burden matrix weighted by ionization potential2D matrix-based descriptors
853SM2_B(i)spectral moment of order 2 from Burden matrix weighted by ionization potential2D matrix-based descriptors
854SM3_B(i)spectral moment of order 3 from Burden matrix weighted by ionization potential2D matrix-based descriptors
855SM4_B(i)spectral moment of order 4 from Burden matrix weighted by ionization potential2D matrix-based descriptors
856SM5_B(i)spectral moment of order 5 from Burden matrix weighted by ionization potential2D matrix-based descriptors
857SM6_B(i)spectral moment of order 6 from Burden matrix weighted by ionization potential2D matrix-based descriptors
858VE1_B(i)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential2D matrix-based descriptors
859VE2_B(i)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential2D matrix-based descriptors
860VE3_B(i)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by ionization potential2D matrix-based descriptors
861VE1sign_B(i)coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential2D matrix-based descriptors
862VE2sign_B(i)average coefficient of the last eigenvector from Burden matrix weighted by ionization potential2D matrix-based descriptors
863VE3sign_B(i)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by ionization potential2D matrix-based descriptors
864VR1_B(i)Randic-like eigenvector-based index from Burden matrix weighted by ionization potential2D matrix-based descriptors
865VR2_B(i)normalized Randic-like eigenvector-based index from Burden matrix weighted by ionization potential2D matrix-based descriptors
866VR3_B(i)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by ionization potential2D matrix-based descriptors
867Wi_B(s)Wiener-like index from Burden matrix weighted by I-State2D matrix-based descriptors
868WiA_B(s)average Wiener-like index from Burden matrix weighted by I-State2D matrix-based descriptors
869AVS_B(s)average vertex sum from Burden matrix weighted by I-State2D matrix-based descriptors
870Chi_B(s)Randic-like index from Burden matrix weighted by I-State2D matrix-based descriptors
871ChiA_B(s)average Randic-like index from Burden matrix weighted by I-State2D matrix-based descriptors
872J_B(s)Balaban-like index from Burden matrix weighted by I-State2D matrix-based descriptors
873HyWi_B(s)hyper-Wiener-like index (log function) from Burden matrix weighted by I-State2D matrix-based descriptors
874SpAbs_B(s)graph energy from Burden matrix weighted by I-State2D matrix-based descriptors
875SpPos_B(s)spectral positive sum from Burden matrix weighted by I-State2D matrix-based descriptors
876SpPosA_B(s)normalized spectral positive sum from Burden matrix weighted by I-State2D matrix-based descriptors
877SpPosLog_B(s)logarithmic spectral positive sum from Burden matrix weighted by I-State2D matrix-based descriptors
878SpMax_B(s)leading eigenvalue from Burden matrix weighted by I-State2D matrix-based descriptors
879SpMaxA_B(s)normalized leading eigenvalue from Burden matrix weighted by I-State2D matrix-based descriptors
880SpDiam_B(s)spectral diameter from Burden matrix weighted by I-State2D matrix-based descriptors
881SpAD_B(s)spectral absolute deviation from Burden matrix weighted by I-State2D matrix-based descriptors
882SpMAD_B(s)spectral mean absolute deviation from Burden matrix weighted by I-State2D matrix-based descriptors
883Ho_B(s)Hosoya-like index (log function) from Burden matrix weighted by I-State2D matrix-based descriptors
884EE_B(s)Estrada-like index (log function) from Burden matrix weighted by I-State2D matrix-based descriptors
885SM1_B(s)spectral moment of order 1 from Burden matrix weighted by I-State2D matrix-based descriptors
886SM2_B(s)spectral moment of order 2 from Burden matrix weighted by I-State2D matrix-based descriptors
887SM3_B(s)spectral moment of order 3 from Burden matrix weighted by I-State2D matrix-based descriptors
888SM4_B(s)spectral moment of order 4 from Burden matrix weighted by I-State2D matrix-based descriptors
889SM5_B(s)spectral moment of order 5 from Burden matrix weighted by I-State2D matrix-based descriptors
890SM6_B(s)spectral moment of order 6 from Burden matrix weighted by I-State2D matrix-based descriptors
891VE1_B(s)coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by I-State2D matrix-based descriptors
892VE2_B(s)average coefficient of the last eigenvector (absolute values) from Burden matrix weighted by I-State2D matrix-based descriptors
893VE3_B(s)logarithmic coefficient sum of the last eigenvector (absolute values) from Burden matrix weighted by I-State2D matrix-based descriptors
894VE1sign_B(s)coefficient sum of the last eigenvector from Burden matrix weighted by I-State2D matrix-based descriptors
895VE2sign_B(s)average coefficient of the last eigenvector from Burden matrix weighted by I-State2D matrix-based descriptors
896VE3sign_B(s)logarithmic coefficient sum of the last eigenvector from Burden matrix weighted by I-State2D matrix-based descriptors
897VR1_B(s)Randic-like eigenvector-based index from Burden matrix weighted by I-State2D matrix-based descriptors
898VR2_B(s)normalized Randic-like eigenvector-based index from Burden matrix weighted by I-State2D matrix-based descriptors
899VR3_B(s)logarithmic Randic-like eigenvector-based index from Burden matrix weighted by I-State2D matrix-based descriptors
900ATS1mBroto-Moreau autocorrelation of lag 1 (log function) weighted by mass2D autocorrelations
901ATS2mBroto-Moreau autocorrelation of lag 2 (log function) weighted by mass2D autocorrelations
902ATS3mBroto-Moreau autocorrelation of lag 3 (log function) weighted by mass2D autocorrelations
903ATS4mBroto-Moreau autocorrelation of lag 4 (log function) weighted by mass2D autocorrelations
904ATS5mBroto-Moreau autocorrelation of lag 5 (log function) weighted by mass2D autocorrelations
905ATS6mBroto-Moreau autocorrelation of lag 6 (log function) weighted by mass2D autocorrelations
906ATS7mBroto-Moreau autocorrelation of lag 7 (log function) weighted by mass2D autocorrelations
907ATS8mBroto-Moreau autocorrelation of lag 8 (log function) weighted by mass2D autocorrelations
908ATS1vBroto-Moreau autocorrelation of lag 1 (log function) weighted by van der Waals volume2D autocorrelations
909ATS2vBroto-Moreau autocorrelation of lag 2 (log function) weighted by van der Waals volume2D autocorrelations
910ATS3vBroto-Moreau autocorrelation of lag 3 (log function) weighted by van der Waals volume2D autocorrelations
911ATS4vBroto-Moreau autocorrelation of lag 4 (log function) weighted by van der Waals volume2D autocorrelations
912ATS5vBroto-Moreau autocorrelation of lag 5 (log function) weighted by van der Waals volume2D autocorrelations
913ATS6vBroto-Moreau autocorrelation of lag 6 (log function) weighted by van der Waals volume2D autocorrelations
914ATS7vBroto-Moreau autocorrelation of lag 7 (log function) weighted by van der Waals volume2D autocorrelations
915ATS8vBroto-Moreau autocorrelation of lag 8 (log function) weighted by van der Waals volume2D autocorrelations
916ATS1eBroto-Moreau autocorrelation of lag 1 (log function) weighted by Sanderson electronegativity2D autocorrelations
917ATS2eBroto-Moreau autocorrelation of lag 2 (log function) weighted by Sanderson electronegativity2D autocorrelations
918ATS3eBroto-Moreau autocorrelation of lag 3 (log function) weighted by Sanderson electronegativity2D autocorrelations
919ATS4eBroto-Moreau autocorrelation of lag 4 (log function) weighted by Sanderson electronegativity2D autocorrelations
920ATS5eBroto-Moreau autocorrelation of lag 5 (log function) weighted by Sanderson electronegativity2D autocorrelations
921ATS6eBroto-Moreau autocorrelation of lag 6 (log function) weighted by Sanderson electronegativity2D autocorrelations
922ATS7eBroto-Moreau autocorrelation of lag 7 (log function) weighted by Sanderson electronegativity2D autocorrelations
923ATS8eBroto-Moreau autocorrelation of lag 8 (log function) weighted by Sanderson electronegativity2D autocorrelations
924ATS1pBroto-Moreau autocorrelation of lag 1 (log function) weighted by polarizability2D autocorrelations
925ATS2pBroto-Moreau autocorrelation of lag 2 (log function) weighted by polarizability2D autocorrelations
926ATS3pBroto-Moreau autocorrelation of lag 3 (log function) weighted by polarizability2D autocorrelations
927ATS4pBroto-Moreau autocorrelation of lag 4 (log function) weighted by polarizability2D autocorrelations
928ATS5pBroto-Moreau autocorrelation of lag 5 (log function) weighted by polarizability2D autocorrelations
929ATS6pBroto-Moreau autocorrelation of lag 6 (log function) weighted by polarizability2D autocorrelations
930ATS7pBroto-Moreau autocorrelation of lag 7 (log function) weighted by polarizability2D autocorrelations
931ATS8pBroto-Moreau autocorrelation of lag 8 (log function) weighted by polarizability2D autocorrelations
932ATS1iBroto-Moreau autocorrelation of lag 1 (log function) weighted by ionization potential2D autocorrelations
933ATS2iBroto-Moreau autocorrelation of lag 2 (log function) weighted by ionization potential2D autocorrelations
934ATS3iBroto-Moreau autocorrelation of lag 3 (log function) weighted by ionization potential2D autocorrelations
935ATS4iBroto-Moreau autocorrelation of lag 4 (log function) weighted by ionization potential2D autocorrelations
936ATS5iBroto-Moreau autocorrelation of lag 5 (log function) weighted by ionization potential2D autocorrelations
937ATS6iBroto-Moreau autocorrelation of lag 6 (log function) weighted by ionization potential2D autocorrelations
938ATS7iBroto-Moreau autocorrelation of lag 7 (log function) weighted by ionization potential2D autocorrelations
939ATS8iBroto-Moreau autocorrelation of lag 8 (log function) weighted by ionization potential2D autocorrelations
940ATS1sBroto-Moreau autocorrelation of lag 1 (log function) weighted by I-state2D autocorrelations
941ATS2sBroto-Moreau autocorrelation of lag 2 (log function) weighted by I-state2D autocorrelations
942ATS3sBroto-Moreau autocorrelation of lag 3 (log function) weighted by I-state2D autocorrelations
943ATS4sBroto-Moreau autocorrelation of lag 4 (log function) weighted by I-state2D autocorrelations
944ATS5sBroto-Moreau autocorrelation of lag 5 (log function) weighted by I-state2D autocorrelations
945ATS6sBroto-Moreau autocorrelation of lag 6 (log function) weighted by I-state2D autocorrelations
946ATS7sBroto-Moreau autocorrelation of lag 7 (log function) weighted by I-state2D autocorrelations
947ATS8sBroto-Moreau autocorrelation of lag 8 (log function) weighted by I-state2D autocorrelations
948ATSC1mCentred Broto-Moreau autocorrelation of lag 1 weighted by mass2D autocorrelations
949ATSC2mCentred Broto-Moreau autocorrelation of lag 2 weighted by mass2D autocorrelations
950ATSC3mCentred Broto-Moreau autocorrelation of lag 3 weighted by mass2D autocorrelations
951ATSC4mCentred Broto-Moreau autocorrelation of lag 4 weighted by mass2D autocorrelations
952ATSC5mCentred Broto-Moreau autocorrelation of lag 5 weighted by mass2D autocorrelations
953ATSC6mCentred Broto-Moreau autocorrelation of lag 6 weighted by mass2D autocorrelations
954ATSC7mCentred Broto-Moreau autocorrelation of lag 7 weighted by mass2D autocorrelations
955ATSC8mCentred Broto-Moreau autocorrelation of lag 8 weighted by mass2D autocorrelations
956ATSC1vCentred Broto-Moreau autocorrelation of lag 1 weighted by van der Waals volume2D autocorrelations
957ATSC2vCentred Broto-Moreau autocorrelation of lag 2 weighted by van der Waals volume2D autocorrelations
958ATSC3vCentred Broto-Moreau autocorrelation of lag 3 weighted by van der Waals volume2D autocorrelations
959ATSC4vCentred Broto-Moreau autocorrelation of lag 4 weighted by van der Waals volume2D autocorrelations
960ATSC5vCentred Broto-Moreau autocorrelation of lag 5 weighted by van der Waals volume2D autocorrelations
961ATSC6vCentred Broto-Moreau autocorrelation of lag 6 weighted by van der Waals volume2D autocorrelations
962ATSC7vCentred Broto-Moreau autocorrelation of lag 7 weighted by van der Waals volume2D autocorrelations
963ATSC8vCentred Broto-Moreau autocorrelation of lag 8 weighted by van der Waals volume2D autocorrelations
964ATSC1eCentred Broto-Moreau autocorrelation of lag 1 weighted by Sanderson electronegativity2D autocorrelations
965ATSC2eCentred Broto-Moreau autocorrelation of lag 2 weighted by Sanderson electronegativity2D autocorrelations
966ATSC3eCentred Broto-Moreau autocorrelation of lag 3 weighted by Sanderson electronegativity2D autocorrelations
967ATSC4eCentred Broto-Moreau autocorrelation of lag 4 weighted by Sanderson electronegativity2D autocorrelations
968ATSC5eCentred Broto-Moreau autocorrelation of lag 5 weighted by Sanderson electronegativity2D autocorrelations
969ATSC6eCentred Broto-Moreau autocorrelation of lag 6 weighted by Sanderson electronegativity2D autocorrelations
970ATSC7eCentred Broto-Moreau autocorrelation of lag 7 weighted by Sanderson electronegativity2D autocorrelations
971ATSC8eCentred Broto-Moreau autocorrelation of lag 8 weighted by Sanderson electronegativity2D autocorrelations
972ATSC1pCentred Broto-Moreau autocorrelation of lag 1 weighted by polarizability2D autocorrelations
973ATSC2pCentred Broto-Moreau autocorrelation of lag 2 weighted by polarizability2D autocorrelations
974ATSC3pCentred Broto-Moreau autocorrelation of lag 3 weighted by polarizability2D autocorrelations
975ATSC4pCentred Broto-Moreau autocorrelation of lag 4 weighted by polarizability2D autocorrelations
976ATSC5pCentred Broto-Moreau autocorrelation of lag 5 weighted by polarizability2D autocorrelations
977ATSC6pCentred Broto-Moreau autocorrelation of lag 6 weighted by polarizability2D autocorrelations
978ATSC7pCentred Broto-Moreau autocorrelation of lag 7 weighted by polarizability2D autocorrelations
979ATSC8pCentred Broto-Moreau autocorrelation of lag 8 weighted by polarizability2D autocorrelations
980ATSC1iCentred Broto-Moreau autocorrelation of lag 1 weighted by ionization potential2D autocorrelations
981ATSC2iCentred Broto-Moreau autocorrelation of lag 2 weighted by ionization potential2D autocorrelations
982ATSC3iCentred Broto-Moreau autocorrelation of lag 3 weighted by ionization potential2D autocorrelations
983ATSC4iCentred Broto-Moreau autocorrelation of lag 4 weighted by ionization potential2D autocorrelations
984ATSC5iCentred Broto-Moreau autocorrelation of lag 5 weighted by ionization potential2D autocorrelations
985ATSC6iCentred Broto-Moreau autocorrelation of lag 6 weighted by ionization potential2D autocorrelations
986ATSC7iCentred Broto-Moreau autocorrelation of lag 7 weighted by ionization potential2D autocorrelations
987ATSC8iCentred Broto-Moreau autocorrelation of lag 8 weighted by ionization potential2D autocorrelations
988ATSC1sCentred Broto-Moreau autocorrelation of lag 1 weighted by I-state2D autocorrelations
989ATSC2sCentred Broto-Moreau autocorrelation of lag 2 weighted by I-state2D autocorrelations
990ATSC3sCentred Broto-Moreau autocorrelation of lag 3 weighted by I-state2D autocorrelations
991ATSC4sCentred Broto-Moreau autocorrelation of lag 4 weighted by I-state2D autocorrelations
992ATSC5sCentred Broto-Moreau autocorrelation of lag 5 weighted by I-state2D autocorrelations
993ATSC6sCentred Broto-Moreau autocorrelation of lag 6 weighted by I-state2D autocorrelations
994ATSC7sCentred Broto-Moreau autocorrelation of lag 7 weighted by I-state2D autocorrelations
995ATSC8sCentred Broto-Moreau autocorrelation of lag 8 weighted by I-state2D autocorrelations
996MATS1mMoran autocorrelation of lag 1 weighted by mass2D autocorrelations
997MATS2mMoran autocorrelation of lag 2 weighted by mass2D autocorrelations
998MATS3mMoran autocorrelation of lag 3 weighted by mass2D autocorrelations
999MATS4mMoran autocorrelation of lag 4 weighted by mass2D autocorrelations
1000MATS5mMoran autocorrelation of lag 5 weighted by mass2D autocorrelations
1001MATS6mMoran autocorrelation of lag 6 weighted by mass2D autocorrelations
1002MATS7mMoran autocorrelation of lag 7 weighted by mass2D autocorrelations
1003MATS8mMoran autocorrelation of lag 8 weighted by mass2D autocorrelations
1004MATS1vMoran autocorrelation of lag 1 weighted by van der Waals volume2D autocorrelations
1005MATS2vMoran autocorrelation of lag 2 weighted by van der Waals volume2D autocorrelations
1006MATS3vMoran autocorrelation of lag 3 weighted by van der Waals volume2D autocorrelations
1007MATS4vMoran autocorrelation of lag 4 weighted by van der Waals volume2D autocorrelations
1008MATS5vMoran autocorrelation of lag 5 weighted by van der Waals volume2D autocorrelations
1009MATS6vMoran autocorrelation of lag 6 weighted by van der Waals volume2D autocorrelations
1010MATS7vMoran autocorrelation of lag 7 weighted by van der Waals volume2D autocorrelations
1011MATS8vMoran autocorrelation of lag 8 weighted by van der Waals volume2D autocorrelations
1012MATS1eMoran autocorrelation of lag 1 weighted by Sanderson electronegativity2D autocorrelations
1013MATS2eMoran autocorrelation of lag 2 weighted by Sanderson electronegativity2D autocorrelations
1014MATS3eMoran autocorrelation of lag 3 weighted by Sanderson electronegativity2D autocorrelations
1015MATS4eMoran autocorrelation of lag 4 weighted by Sanderson electronegativity2D autocorrelations
1016MATS5eMoran autocorrelation of lag 5 weighted by Sanderson electronegativity2D autocorrelations
1017MATS6eMoran autocorrelation of lag 6 weighted by Sanderson electronegativity2D autocorrelations
1018MATS7eMoran autocorrelation of lag 7 weighted by Sanderson electronegativity2D autocorrelations
1019MATS8eMoran autocorrelation of lag 8 weighted by Sanderson electronegativity2D autocorrelations
1020MATS1pMoran autocorrelation of lag 1 weighted by polarizability2D autocorrelations
1021MATS2pMoran autocorrelation of lag 2 weighted by polarizability2D autocorrelations
1022MATS3pMoran autocorrelation of lag 3 weighted by polarizability2D autocorrelations
1023MATS4pMoran autocorrelation of lag 4 weighted by polarizability2D autocorrelations
1024MATS5pMoran autocorrelation of lag 5 weighted by polarizability2D autocorrelations
1025MATS6pMoran autocorrelation of lag 6 weighted by polarizability2D autocorrelations
1026MATS7pMoran autocorrelation of lag 7 weighted by polarizability2D autocorrelations
1027MATS8pMoran autocorrelation of lag 8 weighted by polarizability2D autocorrelations
1028MATS1iMoran autocorrelation of lag 1 weighted by ionization potential2D autocorrelations
1029MATS2iMoran autocorrelation of lag 2 weighted by ionization potential2D autocorrelations
1030MATS3iMoran autocorrelation of lag 3 weighted by ionization potential2D autocorrelations
1031MATS4iMoran autocorrelation of lag 4 weighted by ionization potential2D autocorrelations
1032MATS5iMoran autocorrelation of lag 5 weighted by ionization potential2D autocorrelations
1033MATS6iMoran autocorrelation of lag 6 weighted by ionization potential2D autocorrelations
1034MATS7iMoran autocorrelation of lag 7 weighted by ionization potential2D autocorrelations
1035MATS8iMoran autocorrelation of lag 8 weighted by ionization potential2D autocorrelations
1036MATS1sMoran autocorrelation of lag 1 weighted by I-state2D autocorrelations
1037MATS2sMoran autocorrelation of lag 2 weighted by I-state2D autocorrelations
1038MATS3sMoran autocorrelation of lag 3 weighted by I-state2D autocorrelations
1039MATS4sMoran autocorrelation of lag 4 weighted by I-state2D autocorrelations
1040MATS5sMoran autocorrelation of lag 5 weighted by I-state2D autocorrelations
1041MATS6sMoran autocorrelation of lag 6 weighted by I-state2D autocorrelations
1042MATS7sMoran autocorrelation of lag 7 weighted by I-state2D autocorrelations
1043MATS8sMoran autocorrelation of lag 8 weighted by I-state2D autocorrelations
1044GATS1mGeary autocorrelation of lag 1 weighted by mass2D autocorrelations
1045GATS2mGeary autocorrelation of lag 2 weighted by mass2D autocorrelations
1046GATS3mGeary autocorrelation of lag 3 weighted by mass2D autocorrelations
1047GATS4mGeary autocorrelation of lag 4 weighted by mass2D autocorrelations
1048GATS5mGeary autocorrelation of lag 5 weighted by mass2D autocorrelations
1049GATS6mGeary autocorrelation of lag 6 weighted by mass2D autocorrelations
1050GATS7mGeary autocorrelation of lag 7 weighted by mass2D autocorrelations
1051GATS8mGeary autocorrelation of lag 8 weighted by mass2D autocorrelations
1052GATS1vGeary autocorrelation of lag 1 weighted by van der Waals volume2D autocorrelations
1053GATS2vGeary autocorrelation of lag 2 weighted by van der Waals volume2D autocorrelations
1054GATS3vGeary autocorrelation of lag 3 weighted by van der Waals volume2D autocorrelations
1055GATS4vGeary autocorrelation of lag 4 weighted by van der Waals volume2D autocorrelations
1056GATS5vGeary autocorrelation of lag 5 weighted by van der Waals volume2D autocorrelations
1057GATS6vGeary autocorrelation of lag 6 weighted by van der Waals volume2D autocorrelations
1058GATS7vGeary autocorrelation of lag 7 weighted by van der Waals volume2D autocorrelations
1059GATS8vGeary autocorrelation of lag 8 weighted by van der Waals volume2D autocorrelations
1060GATS1eGeary autocorrelation of lag 1 weighted by Sanderson electronegativity2D autocorrelations
1061GATS2eGeary autocorrelation of lag 2 weighted by Sanderson electronegativity2D autocorrelations
1062GATS3eGeary autocorrelation of lag 3 weighted by Sanderson electronegativity2D autocorrelations
1063GATS4eGeary autocorrelation of lag 4 weighted by Sanderson electronegativity2D autocorrelations
1064GATS5eGeary autocorrelation of lag 5 weighted by Sanderson electronegativity2D autocorrelations
1065GATS6eGeary autocorrelation of lag 6 weighted by Sanderson electronegativity2D autocorrelations
1066GATS7eGeary autocorrelation of lag 7 weighted by Sanderson electronegativity2D autocorrelations
1067GATS8eGeary autocorrelation of lag 8 weighted by Sanderson electronegativity2D autocorrelations
1068GATS1pGeary autocorrelation of lag 1 weighted by polarizability2D autocorrelations
1069GATS2pGeary autocorrelation of lag 2 weighted by polarizability2D autocorrelations
1070GATS3pGeary autocorrelation of lag 3 weighted by polarizability2D autocorrelations
1071GATS4pGeary autocorrelation of lag 4 weighted by polarizability2D autocorrelations
1072GATS5pGeary autocorrelation of lag 5 weighted by polarizability2D autocorrelations
1073GATS6pGeary autocorrelation of lag 6 weighted by polarizability2D autocorrelations
1074GATS7pGeary autocorrelation of lag 7 weighted by polarizability2D autocorrelations
1075GATS8pGeary autocorrelation of lag 8 weighted by polarizability2D autocorrelations
1076GATS1iGeary autocorrelation of lag 1 weighted by ionization potential2D autocorrelations
1077GATS2iGeary autocorrelation of lag 2 weighted by ionization potential2D autocorrelations
1078GATS3iGeary autocorrelation of lag 3 weighted by ionization potential2D autocorrelations
1079GATS4iGeary autocorrelation of lag 4 weighted by ionization potential2D autocorrelations
1080GATS5iGeary autocorrelation of lag 5 weighted by ionization potential2D autocorrelations
1081GATS6iGeary autocorrelation of lag 6 weighted by ionization potential2D autocorrelations
1082GATS7iGeary autocorrelation of lag 7 weighted by ionization potential2D autocorrelations
1083GATS8iGeary autocorrelation of lag 8 weighted by ionization potential2D autocorrelations
1084GATS1sGeary autocorrelation of lag 1 weighted by I-state2D autocorrelations
1085GATS2sGeary autocorrelation of lag 2 weighted by I-state2D autocorrelations
1086GATS3sGeary autocorrelation of lag 3 weighted by I-state2D autocorrelations
1087GATS4sGeary autocorrelation of lag 4 weighted by I-state2D autocorrelations
1088GATS5sGeary autocorrelation of lag 5 weighted by I-state2D autocorrelations
1089GATS6sGeary autocorrelation of lag 6 weighted by I-state2D autocorrelations
1090GATS7sGeary autocorrelation of lag 7 weighted by I-state2D autocorrelations
1091GATS8sGeary autocorrelation of lag 8 weighted by I-state2D autocorrelations
1092GGI1topological charge index of order 12D autocorrelations
1093GGI2topological charge index of order 22D autocorrelations
1094GGI3topological charge index of order 32D autocorrelations
1095GGI4topological charge index of order 42D autocorrelations
1096GGI5topological charge index of order 52D autocorrelations
1097GGI6topological charge index of order 62D autocorrelations
1098GGI7topological charge index of order 72D autocorrelations
1099GGI8topological charge index of order 82D autocorrelations
1100GGI9topological charge index of order 92D autocorrelations
1101GGI10topological charge index of order 102D autocorrelations
1102JGI1mean topological charge index of order 12D autocorrelations
1103JGI2mean topological charge index of order 22D autocorrelations
1104JGI3mean topological charge index of order 32D autocorrelations
1105JGI4mean topological charge index of order 42D autocorrelations
1106JGI5mean topological charge index of order 52D autocorrelations
1107JGI6mean topological charge index of order 62D autocorrelations
1108JGI7mean topological charge index of order 72D autocorrelations
1109JGI8mean topological charge index of order 82D autocorrelations
1110JGI9mean topological charge index of order 92D autocorrelations
1111JGI10mean topological charge index of order 102D autocorrelations
1112JGTglobal topological charge index2D autocorrelations
1113SpMax1_Bh(m)largest eigenvalue n. 1 of Burden matrix weighted by massBurden eigenvalues
1114SpMax2_Bh(m)largest eigenvalue n. 2 of Burden matrix weighted by massBurden eigenvalues
1115SpMax3_Bh(m)largest eigenvalue n. 3 of Burden matrix weighted by massBurden eigenvalues
1116SpMax4_Bh(m)largest eigenvalue n. 4 of Burden matrix weighted by massBurden eigenvalues
1117SpMax5_Bh(m)largest eigenvalue n. 5 of Burden matrix weighted by massBurden eigenvalues
1118SpMax6_Bh(m)largest eigenvalue n. 6 of Burden matrix weighted by massBurden eigenvalues
1119SpMax7_Bh(m)largest eigenvalue n. 7 of Burden matrix weighted by massBurden eigenvalues
1120SpMax8_Bh(m)largest eigenvalue n. 8 of Burden matrix weighted by massBurden eigenvalues
1121SpMax1_Bh(v)largest eigenvalue n. 1 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1122SpMax2_Bh(v)largest eigenvalue n. 2 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1123SpMax3_Bh(v)largest eigenvalue n. 3 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1124SpMax4_Bh(v)largest eigenvalue n. 4 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1125SpMax5_Bh(v)largest eigenvalue n. 5 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1126SpMax6_Bh(v)largest eigenvalue n. 6 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1127SpMax7_Bh(v)largest eigenvalue n. 7 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1128SpMax8_Bh(v)largest eigenvalue n. 8 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1129SpMax1_Bh(e)largest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1130SpMax2_Bh(e)largest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1131SpMax3_Bh(e)largest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1132SpMax4_Bh(e)largest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1133SpMax5_Bh(e)largest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1134SpMax6_Bh(e)largest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1135SpMax7_Bh(e)largest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1136SpMax8_Bh(e)largest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1137SpMax1_Bh(p)largest eigenvalue n. 1 of Burden matrix weighted by polarizabilityBurden eigenvalues
1138SpMax2_Bh(p)largest eigenvalue n. 2 of Burden matrix weighted by polarizabilityBurden eigenvalues
1139SpMax3_Bh(p)largest eigenvalue n. 3 of Burden matrix weighted by polarizabilityBurden eigenvalues
1140SpMax4_Bh(p)largest eigenvalue n. 4 of Burden matrix weighted by polarizabilityBurden eigenvalues
1141SpMax5_Bh(p)largest eigenvalue n. 5 of Burden matrix weighted by polarizabilityBurden eigenvalues
1142SpMax6_Bh(p)largest eigenvalue n. 6 of Burden matrix weighted by polarizabilityBurden eigenvalues
1143SpMax7_Bh(p)largest eigenvalue n. 7 of Burden matrix weighted by polarizabilityBurden eigenvalues
1144SpMax8_Bh(p)largest eigenvalue n. 8 of Burden matrix weighted by polarizabilityBurden eigenvalues
1145SpMax1_Bh(i)largest eigenvalue n. 1 of Burden matrix weighted by ionization potentialBurden eigenvalues
1146SpMax2_Bh(i)largest eigenvalue n. 2 of Burden matrix weighted by ionization potentialBurden eigenvalues
1147SpMax3_Bh(i)largest eigenvalue n. 3 of Burden matrix weighted by ionization potentialBurden eigenvalues
1148SpMax4_Bh(i)largest eigenvalue n. 4 of Burden matrix weighted by ionization potentialBurden eigenvalues
1149SpMax5_Bh(i)largest eigenvalue n. 5 of Burden matrix weighted by ionization potentialBurden eigenvalues
1150SpMax6_Bh(i)largest eigenvalue n. 6 of Burden matrix weighted by ionization potentialBurden eigenvalues
1151SpMax7_Bh(i)largest eigenvalue n. 7 of Burden matrix weighted by ionization potentialBurden eigenvalues
1152SpMax8_Bh(i)largest eigenvalue n. 8 of Burden matrix weighted by ionization potentialBurden eigenvalues
1153SpMax1_Bh(s)largest eigenvalue n. 1 of Burden matrix weighted by I-stateBurden eigenvalues
1154SpMax2_Bh(s)largest eigenvalue n. 2 of Burden matrix weighted by I-stateBurden eigenvalues
1155SpMax3_Bh(s)largest eigenvalue n. 3 of Burden matrix weighted by I-stateBurden eigenvalues
1156SpMax4_Bh(s)largest eigenvalue n. 4 of Burden matrix weighted by I-stateBurden eigenvalues
1157SpMax5_Bh(s)largest eigenvalue n. 5 of Burden matrix weighted by I-stateBurden eigenvalues
1158SpMax6_Bh(s)largest eigenvalue n. 6 of Burden matrix weighted by I-stateBurden eigenvalues
1159SpMax7_Bh(s)largest eigenvalue n. 7 of Burden matrix weighted by I-stateBurden eigenvalues
1160SpMax8_Bh(s)largest eigenvalue n. 8 of Burden matrix weighted by I-stateBurden eigenvalues
1161SpMin1_Bh(m)smallest eigenvalue n. 1 of Burden matrix weighted by massBurden eigenvalues
1162SpMin2_Bh(m)smallest eigenvalue n. 2 of Burden matrix weighted by massBurden eigenvalues
1163SpMin3_Bh(m)smallest eigenvalue n. 3 of Burden matrix weighted by massBurden eigenvalues
1164SpMin4_Bh(m)smallest eigenvalue n. 4 of Burden matrix weighted by massBurden eigenvalues
1165SpMin5_Bh(m)smallest eigenvalue n. 5 of Burden matrix weighted by massBurden eigenvalues
1166SpMin6_Bh(m)smallest eigenvalue n. 6 of Burden matrix weighted by massBurden eigenvalues
1167SpMin7_Bh(m)smallest eigenvalue n. 7 of Burden matrix weighted by massBurden eigenvalues
1168SpMin8_Bh(m)smallest eigenvalue n. 8 of Burden matrix weighted by massBurden eigenvalues
1169SpMin1_Bh(v)smallest eigenvalue n. 1 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1170SpMin2_Bh(v)smallest eigenvalue n. 2 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1171SpMin3_Bh(v)smallest eigenvalue n. 3 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1172SpMin4_Bh(v)smallest eigenvalue n. 4 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1173SpMin5_Bh(v)smallest eigenvalue n. 5 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1174SpMin6_Bh(v)smallest eigenvalue n. 6 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1175SpMin7_Bh(v)smallest eigenvalue n. 7 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1176SpMin8_Bh(v)smallest eigenvalue n. 8 of Burden matrix weighted by van der Waals volumeBurden eigenvalues
1177SpMin1_Bh(e)smallest eigenvalue n. 1 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1178SpMin2_Bh(e)smallest eigenvalue n. 2 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1179SpMin3_Bh(e)smallest eigenvalue n. 3 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1180SpMin4_Bh(e)smallest eigenvalue n. 4 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1181SpMin5_Bh(e)smallest eigenvalue n. 5 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1182SpMin6_Bh(e)smallest eigenvalue n. 6 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1183SpMin7_Bh(e)smallest eigenvalue n. 7 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1184SpMin8_Bh(e)smallest eigenvalue n. 8 of Burden matrix weighted by Sanderson electronegativityBurden eigenvalues
1185SpMin1_Bh(p)smallest eigenvalue n. 1 of Burden matrix weighted by polarizabilityBurden eigenvalues
1186SpMin2_Bh(p)smallest eigenvalue n. 2 of Burden matrix weighted by polarizabilityBurden eigenvalues
1187SpMin3_Bh(p)smallest eigenvalue n. 3 of Burden matrix weighted by polarizabilityBurden eigenvalues
1188SpMin4_Bh(p)smallest eigenvalue n. 4 of Burden matrix weighted by polarizabilityBurden eigenvalues
1189SpMin5_Bh(p)smallest eigenvalue n. 5 of Burden matrix weighted by polarizabilityBurden eigenvalues
1190SpMin6_Bh(p)smallest eigenvalue n. 6 of Burden matrix weighted by polarizabilityBurden eigenvalues
1191SpMin7_Bh(p)smallest eigenvalue n. 7 of Burden matrix weighted by polarizabilityBurden eigenvalues
1192SpMin8_Bh(p)smallest eigenvalue n. 8 of Burden matrix weighted by polarizabilityBurden eigenvalues
1193SpMin1_Bh(i)smallest eigenvalue n. 1 of Burden matrix weighted by ionization potentialBurden eigenvalues
1194SpMin2_Bh(i)smallest eigenvalue n. 2 of Burden matrix weighted by ionization potentialBurden eigenvalues
1195SpMin3_Bh(i)smallest eigenvalue n. 3 of Burden matrix weighted by ionization potentialBurden eigenvalues
1196SpMin4_Bh(i)smallest eigenvalue n. 4 of Burden matrix weighted by ionization potentialBurden eigenvalues
1197SpMin5_Bh(i)smallest eigenvalue n. 5 of Burden matrix weighted by ionization potentialBurden eigenvalues
1198SpMin6_Bh(i)smallest eigenvalue n. 6 of Burden matrix weighted by ionization potentialBurden eigenvalues
1199SpMin7_Bh(i)smallest eigenvalue n. 7 of Burden matrix weighted by ionization potentialBurden eigenvalues
1200SpMin8_Bh(i)smallest eigenvalue n. 8 of Burden matrix weighted by ionization potentialBurden eigenvalues
1201SpMin1_Bh(s)smallest eigenvalue n. 1 of Burden matrix weighted by I-stateBurden eigenvalues
1202SpMin2_Bh(s)smallest eigenvalue n. 2 of Burden matrix weighted by I-stateBurden eigenvalues
1203SpMin3_Bh(s)smallest eigenvalue n. 3 of Burden matrix weighted by I-stateBurden eigenvalues
1204SpMin4_Bh(s)smallest eigenvalue n. 4 of Burden matrix weighted by I-stateBurden eigenvalues
1205SpMin5_Bh(s)smallest eigenvalue n. 5 of Burden matrix weighted by I-stateBurden eigenvalues
1206SpMin6_Bh(s)smallest eigenvalue n. 6 of Burden matrix weighted by I-stateBurden eigenvalues
1207SpMin7_Bh(s)smallest eigenvalue n. 7 of Burden matrix weighted by I-stateBurden eigenvalues
1208SpMin8_Bh(s)smallest eigenvalue n. 8 of Burden matrix weighted by I-stateBurden eigenvalues
1209P_VSA_LogP_1P_VSA-like on LogP, bin 1P_VSA-like descriptors
1210P_VSA_LogP_2P_VSA-like on LogP, bin 2P_VSA-like descriptors
1211P_VSA_LogP_3P_VSA-like on LogP, bin 3P_VSA-like descriptors
1212P_VSA_LogP_4P_VSA-like on LogP, bin 4P_VSA-like descriptors
1213P_VSA_LogP_5P_VSA-like on LogP, bin 5P_VSA-like descriptors
1214P_VSA_LogP_6P_VSA-like on LogP, bin 6P_VSA-like descriptors
1215P_VSA_LogP_7P_VSA-like on LogP, bin 7P_VSA-like descriptors
1216P_VSA_LogP_8P_VSA-like on LogP, bin 8P_VSA-like descriptors
1217P_VSA_MR_1P_VSA-like on Molar Refractivity, bin 1P_VSA-like descriptors
1218P_VSA_MR_2P_VSA-like on Molar Refractivity, bin 2P_VSA-like descriptors
1219P_VSA_MR_3P_VSA-like on Molar Refractivity, bin 3P_VSA-like descriptors
1220P_VSA_MR_4P_VSA-like on Molar Refractivity, bin 4P_VSA-like descriptors
1221P_VSA_MR_5P_VSA-like on Molar Refractivity, bin 5P_VSA-like descriptors
1222P_VSA_MR_6P_VSA-like on Molar Refractivity, bin 6P_VSA-like descriptors
1223P_VSA_MR_7P_VSA-like on Molar Refractivity, bin 7P_VSA-like descriptors
1224P_VSA_MR_8P_VSA-like on Molar Refractivity, bin 8P_VSA-like descriptors
1225P_VSA_m_1P_VSA-like on mass, bin 1P_VSA-like descriptors
1226P_VSA_m_2P_VSA-like on mass, bin 2P_VSA-like descriptors
1227P_VSA_m_3P_VSA-like on mass, bin 3P_VSA-like descriptors
1228P_VSA_m_4P_VSA-like on mass, bin 4P_VSA-like descriptors
1229P_VSA_m_5P_VSA-like on mass, bin 5P_VSA-like descriptors
1230P_VSA_v_1P_VSA-like on van der Waals volume, bin 1P_VSA-like descriptors
1231P_VSA_v_2P_VSA-like on van der Waals volume, bin 2P_VSA-like descriptors
1232P_VSA_v_3P_VSA-like on van der Waals volume, bin 3P_VSA-like descriptors
1233P_VSA_v_4P_VSA-like on van der Waals volume, bin 4P_VSA-like descriptors
1234P_VSA_e_1P_VSA-like on Sanderson electronegativity, bin 1P_VSA-like descriptors
1235P_VSA_e_2P_VSA-like on Sanderson electronegativity, bin 2P_VSA-like descriptors
1236P_VSA_e_3P_VSA-like on Sanderson electronegativity, bin 3P_VSA-like descriptors
1237P_VSA_e_4P_VSA-like on Sanderson electronegativity, bin 4P_VSA-like descriptors
1238P_VSA_e_5P_VSA-like on Sanderson electronegativity, bin 5P_VSA-like descriptors
1239P_VSA_e_6P_VSA-like on Sanderson electronegativity, bin 6P_VSA-like descriptors
1240P_VSA_p_1P_VSA-like on polarizability, bin 1P_VSA-like descriptors
1241P_VSA_p_2P_VSA-like on polarizability, bin 2P_VSA-like descriptors
1242P_VSA_p_3P_VSA-like on polarizability, bin 3P_VSA-like descriptors
1243P_VSA_p_4P_VSA-like on polarizability, bin 4P_VSA-like descriptors
1244P_VSA_i_1P_VSA-like on ionization potential, bin 1P_VSA-like descriptors
1245P_VSA_i_2P_VSA-like on ionization potential, bin 2P_VSA-like descriptors
1246P_VSA_i_3P_VSA-like on ionization potential, bin 3P_VSA-like descriptors
1247P_VSA_i_4P_VSA-like on ionization potential, bin 4P_VSA-like descriptors
1248P_VSA_s_1P_VSA-like on I-state, bin 1P_VSA-like descriptors
1249P_VSA_s_2P_VSA-like on I-state, bin 2P_VSA-like descriptors
1250P_VSA_s_3P_VSA-like on I-state, bin 3P_VSA-like descriptors
1251P_VSA_s_4P_VSA-like on I-state, bin 4P_VSA-like descriptors
1252P_VSA_s_5P_VSA-like on I-state, bin 5P_VSA-like descriptors
1253P_VSA_s_6P_VSA-like on I-state, bin 6P_VSA-like descriptors
1254P_VSA_ppp_LP_VSA-like on potential pharmacophore points, L - lipophilicP_VSA-like descriptors
1255P_VSA_ppp_PP_VSA-like on potential pharmacophore points, P - positiveP_VSA-like descriptors
1256P_VSA_ppp_NP_VSA-like on potential pharmacophore points, N - negativeP_VSA-like descriptors
1257P_VSA_ppp_DP_VSA-like on potential pharmacophore points, D - hydrogen-bond donorP_VSA-like descriptors
1258P_VSA_ppp_AP_VSA-like on potential pharmacophore points, A - hydrogen-bond acceptorP_VSA-like descriptors
1259P_VSA_ppp_arP_VSA-like on potential pharmacophore points, ar - aromatic atomsP_VSA-like descriptors
1260P_VSA_ppp_conP_VSA-like on potential pharmacophore points, con - conjugated atomsP_VSA-like descriptors
1261P_VSA_ppp_halP_VSA-like on potential pharmacophore points, hal - halogen atomsP_VSA-like descriptors
1262P_VSA_ppp_cycP_VSA-like on potential pharmacophore points, cyc - atoms belonging to cyclesP_VSA-like descriptors
1263P_VSA_ppp_terP_VSA-like on potential pharmacophore points, ter - terminal atomsP_VSA-like descriptors
1264Eta_alphaeta core countETA indices
1265Eta_alpha_Aeta average core countETA indices
1266Eta_epsieta electronegativity measureETA indices
1267Eta_epsi_Aeta average electronegativity measureETA indices
1268Eta_betaSeta sigma VEM countETA indices
1269Eta_betaS_Aeta sigma average VEM counETA indices
1270Eta_betaPeta pi and lone pair VEM countETA indices
1271Eta_betaP_Aeta pi and lone pair average VEM countETA indices
1272Eta_betaeta VEM countETA indices
1273Eta_beta_Aeta average VEM countETA indices
1274Eta_Ceta composite indexETA indices
1275Eta_C_Aeta average composite indexETA indices
1276Eta_Leta local composite indexETA indices
1277Eta_L_Aeta average local composite indexETA indices
1278Eta_Feta functionality indexETA indices
1279Eta_F_Aeta average functionality indexETA indices
1280Eta_FLeta local functionality indexETA indices
1281Eta_FL_Aeta average local functionality indexETA indices
1282Eta_Beta branching indexETA indices
1283Eta_B_Aeta average branching indexETA indices
1284Eta_sh_peta p shape indexETA indices
1285Eta_sh_yeta y shape indexETA indices
1286Eta_sh_xeta x shape indexETA indices
1287Eta_D_AlphaAeta delta alpha a indexETA indices
1288Eta_D_AlphaBeta delta alpha b indexETA indices
1289Eta_epsi_2eta electronegativity measure 2ETA indices
1290Eta_epsi_3eta electronegativity measure 3ETA indices
1291Eta_epsi_4eta electronegativity measure 4ETA indices
1292Eta_epsi_5eta electronegativity measure 5ETA indices
1293Eta_D_epsiAeta measure of unsaturation and electronegative atom countETA indices
1294Eta_D_epsiBeta measure of unsaturationETA indices
1295Eta_D_epsiCeta measure of electronegativityETA indices
1296Eta_D_epsiDeta measure of hydrogen bond donor atomsETA indices
1297Eta_psi1eta measure of hydrogen bonding propensity and/or polar surface areaETA indices
1298Eta_D_psiAeta measure of hydrogen bonding propensityETA indices
1299Eta_D_psiBeta measure of hydrogen bonding propensityETA indices
1300Eta_D_betaeta measure of electronic featuresETA indices
1301Eta_D_beta_Aeta average measure of electronic featuresETA indices
1302SpMax_EAleading eigenvalue from edge adjacency mat.Edge adjacency indices
1303SpMaxA_EAnormalized leading eigenvalue from edge adjacency mat.Edge adjacency indices
1304SpDiam_EAspectral diameter from edge adjacency mat.Edge adjacency indices
1305SpAD_EAspectral absolute deviation from edge adjacency mat.Edge adjacency indices
1306SpMAD_EAspectral mean absolute deviation from edge adjacency mat.Edge adjacency indices
1307SpMax_EA(ed)leading eigenvalue from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1308SpMaxA_EA(ed)normalized leading eigenvalue from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1309SpDiam_EA(ed)spectral diameter from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1310SpAD_EA(ed)spectral absolute deviation from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1311SpMAD_EA(ed)spectral mean absolute deviation from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1312SpMax_EA(bo)leading eigenvalue from edge adjacency mat. weighted by bond orderEdge adjacency indices
1313SpMaxA_EA(bo)normalized leading eigenvalue from edge adjacency mat. weighted by bond orderEdge adjacency indices
1314SpDiam_EA(bo)spectral diameter from edge adjacency mat. weighted by bond orderEdge adjacency indices
1315SpAD_EA(bo)spectral absolute deviation from edge adjacency mat. weighted by bond orderEdge adjacency indices
1316SpMAD_EA(bo)spectral mean absolute deviation from edge adjacency mat. weighted by bond orderEdge adjacency indices
1317SpMax_EA(dm)leading eigenvalue from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1318SpMaxA_EA(dm)normalized leading eigenvalue from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1319SpDiam_EA(dm)spectral diameter from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1320SpAD_EA(dm)spectral absolute deviation from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1321SpMAD_EA(dm)spectral mean absolute deviation from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1322SpMax_EA(ri)leading eigenvalue from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1323SpMaxA_EA(ri)normalized leading eigenvalue from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1324SpDiam_EA(ri)spectral diameter from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1325SpAD_EA(ri)spectral absolute deviation from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1326SpMAD_EA(ri)spectral mean absolute deviation from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1327SpMax_AEA(ed)leading eigenvalue from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1328SpMaxA_AEA(ed)normalized leading eigenvalue from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1329SpDiam_AEA(ed)spectral diameter from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1330SpAD_AEA(ed)spectral absolute deviation from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1331SpMAD_AEA(ed)spectral mean absolute deviation from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1332SpMax_AEA(bo)leading eigenvalue from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1333SpMaxA_AEA(bo)normalized leading eigenvalue from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1334SpDiam_AEA(bo)spectral diameter from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1335SpAD_AEA(bo)spectral absolute deviation from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1336SpMAD_AEA(bo)spectral mean absolute deviation from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1337SpMax_AEA(dm)leading eigenvalue from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1338SpMaxA_AEA(dm)normalized leading eigenvalue from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1339SpDiam_AEA(dm)spectral diameter from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1340SpAD_AEA(dm)spectral absolute deviation from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1341SpMAD_AEA(dm)spectral mean absolute deviation from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1342SpMax_AEA(ri)leading eigenvalue from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1343SpMaxA_AEA(ri)normalized leading eigenvalue from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1344SpDiam_AEA(ri)spectral diameter from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1345SpAD_AEA(ri)spectral absolute deviation from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1346SpMAD_AEA(ri)spectral mean absolute deviation from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1347Chi0_EAconnectivity-like index of order 0 from edge adjacency mat.Edge adjacency indices
1348Chi1_EAconnectivity-like index of order 1 from edge adjacency mat.Edge adjacency indices
1349Chi0_EA(ed)connectivity-like index of order 0 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1350Chi1_EA(ed)connectivity-like index of order 1 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1351Chi0_EA(bo)connectivity-like index of order 0 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1352Chi1_EA(bo)connectivity-like index of order 1 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1353Chi0_EA(dm)connectivity-like index of order 0 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1354Chi1_EA(dm)connectivity-like index of order 1 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1355Chi0_EA(ri)connectivity-like index of order 0 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1356Chi1_EA(ri)connectivity-like index of order 1 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1357Chi0_AEA(ed)connectivity-like index of order 0 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1358Chi1_AEA(ed)connectivity-like index of order 1 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1359Chi0_AEA(bo)connectivity-like index of order 0 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1360Chi1_AEA(bo)connectivity-like index of order 1 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1361Chi0_AEA(dm)connectivity-like index of order 0 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1362Chi1_AEA(dm)connectivity-like index of order 1 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1363Chi0_AEA(ri)connectivity-like index of order 0 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1364Chi1_AEA(ri)connectivity-like index of order 1 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1365SM02_EAspectral moment of order 2 from edge adjacency mat.Edge adjacency indices
1366SM03_EAspectral moment of order 3 from edge adjacency mat.Edge adjacency indices
1367SM04_EAspectral moment of order 4 from edge adjacency mat.Edge adjacency indices
1368SM05_EAspectral moment of order 5 from edge adjacency mat.Edge adjacency indices
1369SM06_EAspectral moment of order 6 from edge adjacency mat.Edge adjacency indices
1370SM07_EAspectral moment of order 7 from edge adjacency mat.Edge adjacency indices
1371SM08_EAspectral moment of order 8 from edge adjacency mat.Edge adjacency indices
1372SM09_EAspectral moment of order 9 from edge adjacency mat.Edge adjacency indices
1373SM10_EAspectral moment of order 10 from edge adjacency mat.Edge adjacency indices
1374SM11_EAspectral moment of order 11 from edge adjacency mat.Edge adjacency indices
1375SM12_EAspectral moment of order 12 from edge adjacency mat.Edge adjacency indices
1376SM13_EAspectral moment of order 13 from edge adjacency mat.Edge adjacency indices
1377SM14_EAspectral moment of order 14 from edge adjacency mat.Edge adjacency indices
1378SM15_EAspectral moment of order 15 from edge adjacency mat.Edge adjacency indices
1379SM02_EA(ed)spectral moment of order 2 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1380SM03_EA(ed)spectral moment of order 3 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1381SM04_EA(ed)spectral moment of order 4 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1382SM05_EA(ed)spectral moment of order 5 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1383SM06_EA(ed)spectral moment of order 6 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1384SM07_EA(ed)spectral moment of order 7 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1385SM08_EA(ed)spectral moment of order 8 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1386SM09_EA(ed)spectral moment of order 9 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1387SM10_EA(ed)spectral moment of order 10 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1388SM11_EA(ed)spectral moment of order 11 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1389SM12_EA(ed)spectral moment of order 12 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1390SM13_EA(ed)spectral moment of order 13 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1391SM14_EA(ed)spectral moment of order 14 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1392SM15_EA(ed)spectral moment of order 15 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1393SM02_EA(bo)spectral moment of order 2 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1394SM03_EA(bo)spectral moment of order 3 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1395SM04_EA(bo)spectral moment of order 4 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1396SM05_EA(bo)spectral moment of order 5 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1397SM06_EA(bo)spectral moment of order 6 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1398SM07_EA(bo)spectral moment of order 7 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1399SM08_EA(bo)spectral moment of order 8 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1400SM09_EA(bo)spectral moment of order 9 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1401SM10_EA(bo)spectral moment of order 10 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1402SM11_EA(bo)spectral moment of order 11 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1403SM12_EA(bo)spectral moment of order 12 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1404SM13_EA(bo)spectral moment of order 13 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1405SM14_EA(bo)spectral moment of order 14 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1406SM15_EA(bo)spectral moment of order 15 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1407SM02_EA(dm)spectral moment of order 2 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1408SM03_EA(dm)spectral moment of order 3 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1409SM04_EA(dm)spectral moment of order 4 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1410SM05_EA(dm)spectral moment of order 5 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1411SM06_EA(dm)spectral moment of order 6 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1412SM07_EA(dm)spectral moment of order 7 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1413SM08_EA(dm)spectral moment of order 8 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1414SM09_EA(dm)spectral moment of order 9 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1415SM10_EA(dm)spectral moment of order 10 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1416SM11_EA(dm)spectral moment of order 11 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1417SM12_EA(dm)spectral moment of order 12 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1418SM13_EA(dm)spectral moment of order 13 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1419SM14_EA(dm)spectral moment of order 14 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1420SM15_EA(dm)spectral moment of order 15 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1421SM02_EA(ri)spectral moment of order 2 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1422SM03_EA(ri)spectral moment of order 3 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1423SM04_EA(ri)spectral moment of order 4 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1424SM05_EA(ri)spectral moment of order 5 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1425SM06_EA(ri)spectral moment of order 6 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1426SM07_EA(ri)spectral moment of order 7 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1427SM08_EA(ri)spectral moment of order 8 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1428SM09_EA(ri)spectral moment of order 9 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1429SM10_EA(ri)spectral moment of order 10 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1430SM11_EA(ri)spectral moment of order 11 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1431SM12_EA(ri)spectral moment of order 12 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1432SM13_EA(ri)spectral moment of order 13 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1433SM14_EA(ri)spectral moment of order 14 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1434SM15_EA(ri)spectral moment of order 15 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1435SM02_AEA(ed)spectral moment of order 2 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1436SM03_AEA(ed)spectral moment of order 3 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1437SM04_AEA(ed)spectral moment of order 4 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1438SM05_AEA(ed)spectral moment of order 5 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1439SM06_AEA(ed)spectral moment of order 6 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1440SM07_AEA(ed)spectral moment of order 7 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1441SM08_AEA(ed)spectral moment of order 8 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1442SM09_AEA(ed)spectral moment of order 9 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1443SM10_AEA(ed)spectral moment of order 10 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1444SM11_AEA(ed)spectral moment of order 11 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1445SM12_AEA(ed)spectral moment of order 12 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1446SM13_AEA(ed)spectral moment of order 13 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1447SM14_AEA(ed)spectral moment of order 14 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1448SM15_AEA(ed)spectral moment of order 15 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1449SM02_AEA(bo)spectral moment of order 2 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1450SM03_AEA(bo)spectral moment of order 3 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1451SM04_AEA(bo)spectral moment of order 4 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1452SM05_AEA(bo)spectral moment of order 5 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1453SM06_AEA(bo)spectral moment of order 6 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1454SM07_AEA(bo)spectral moment of order 7 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1455SM08_AEA(bo)spectral moment of order 8 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1456SM09_AEA(bo)spectral moment of order 9 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1457SM10_AEA(bo)spectral moment of order 10 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1458SM11_AEA(bo)spectral moment of order 11 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1459SM12_AEA(bo)spectral moment of order 12 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1460SM13_AEA(bo)spectral moment of order 13 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1461SM14_AEA(bo)spectral moment of order 14 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1462SM15_AEA(bo)spectral moment of order 15 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1463SM02_AEA(dm)spectral moment of order 2 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1464SM03_AEA(dm)spectral moment of order 3 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1465SM04_AEA(dm)spectral moment of order 4 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1466SM05_AEA(dm)spectral moment of order 5 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1467SM06_AEA(dm)spectral moment of order 6 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1468SM07_AEA(dm)spectral moment of order 7 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1469SM08_AEA(dm)spectral moment of order 8 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1470SM09_AEA(dm)spectral moment of order 9 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1471SM10_AEA(dm)spectral moment of order 10 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1472SM11_AEA(dm)spectral moment of order 11 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1473SM12_AEA(dm)spectral moment of order 12 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1474SM13_AEA(dm)spectral moment of order 13 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1475SM14_AEA(dm)spectral moment of order 14 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1476SM15_AEA(dm)spectral moment of order 15 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1477SM02_AEA(ri)spectral moment of order 2 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1478SM03_AEA(ri)spectral moment of order 3 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1479SM04_AEA(ri)spectral moment of order 4 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1480SM05_AEA(ri)spectral moment of order 5 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1481SM06_AEA(ri)spectral moment of order 6 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1482SM07_AEA(ri)spectral moment of order 7 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1483SM08_AEA(ri)spectral moment of order 8 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1484SM09_AEA(ri)spectral moment of order 9 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1485SM10_AEA(ri)spectral moment of order 10 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1486SM11_AEA(ri)spectral moment of order 11 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1487SM12_AEA(ri)spectral moment of order 12 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1488SM13_AEA(ri)spectral moment of order 13 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1489SM14_AEA(ri)spectral moment of order 14 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1490SM15_AEA(ri)spectral moment of order 15 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1491Eig01_EAeigenvalue n. 1 from edge adjacency mat.Edge adjacency indices
1492Eig02_EAeigenvalue n. 2 from edge adjacency mat.Edge adjacency indices
1493Eig03_EAeigenvalue n. 3 from edge adjacency mat.Edge adjacency indices
1494Eig04_EAeigenvalue n. 4 from edge adjacency mat.Edge adjacency indices
1495Eig05_EAeigenvalue n. 5 from edge adjacency mat.Edge adjacency indices
1496Eig06_EAeigenvalue n. 6 from edge adjacency mat.Edge adjacency indices
1497Eig07_EAeigenvalue n. 7 from edge adjacency mat.Edge adjacency indices
1498Eig08_EAeigenvalue n. 8 from edge adjacency mat.Edge adjacency indices
1499Eig09_EAeigenvalue n. 9 from edge adjacency mat.Edge adjacency indices
1500Eig10_EAeigenvalue n. 10 from edge adjacency mat.Edge adjacency indices
1501Eig11_EAeigenvalue n. 11 from edge adjacency mat.Edge adjacency indices
1502Eig12_EAeigenvalue n. 12 from edge adjacency mat.Edge adjacency indices
1503Eig13_EAeigenvalue n. 13 from edge adjacency mat.Edge adjacency indices
1504Eig14_EAeigenvalue n. 14 from edge adjacency mat.Edge adjacency indices
1505Eig15_EAeigenvalue n. 15 from edge adjacency mat.Edge adjacency indices
1506Eig01_EA(ed)eigenvalue n. 1 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1507Eig02_EA(ed)eigenvalue n. 2 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1508Eig03_EA(ed)eigenvalue n. 3 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1509Eig04_EA(ed)eigenvalue n. 4 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1510Eig05_EA(ed)eigenvalue n. 5 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1511Eig06_EA(ed)eigenvalue n. 6 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1512Eig07_EA(ed)eigenvalue n. 7 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1513Eig08_EA(ed)eigenvalue n. 8 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1514Eig09_EA(ed)eigenvalue n. 9 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1515Eig10_EA(ed)eigenvalue n. 10 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1516Eig11_EA(ed)eigenvalue n. 11 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1517Eig12_EA(ed)eigenvalue n. 12 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1518Eig13_EA(ed)eigenvalue n. 13 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1519Eig14_EA(ed)eigenvalue n. 14 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1520Eig15_EA(ed)eigenvalue n. 15 from edge adjacency mat. weighted by edge degreeEdge adjacency indices
1521Eig01_EA(bo)eigenvalue n. 1 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1522Eig02_EA(bo)eigenvalue n. 2 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1523Eig03_EA(bo)eigenvalue n. 3 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1524Eig04_EA(bo)eigenvalue n. 4 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1525Eig05_EA(bo)eigenvalue n. 5 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1526Eig06_EA(bo)eigenvalue n. 6 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1527Eig07_EA(bo)eigenvalue n. 7 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1528Eig08_EA(bo)eigenvalue n. 8 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1529Eig09_EA(bo)eigenvalue n. 9 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1530Eig10_EA(bo)eigenvalue n. 10 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1531Eig11_EA(bo)eigenvalue n. 11 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1532Eig12_EA(bo)eigenvalue n. 12 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1533Eig13_EA(bo)eigenvalue n. 13 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1534Eig14_EA(bo)eigenvalue n. 14 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1535Eig15_EA(bo)eigenvalue n. 15 from edge adjacency mat. weighted by bond orderEdge adjacency indices
1536Eig01_EA(dm)eigenvalue n. 1 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1537Eig02_EA(dm)eigenvalue n. 2 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1538Eig03_EA(dm)eigenvalue n. 3 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1539Eig04_EA(dm)eigenvalue n. 4 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1540Eig05_EA(dm)eigenvalue n. 5 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1541Eig06_EA(dm)eigenvalue n. 6 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1542Eig07_EA(dm)eigenvalue n. 7 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1543Eig08_EA(dm)eigenvalue n. 8 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1544Eig09_EA(dm)eigenvalue n. 9 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1545Eig10_EA(dm)eigenvalue n. 10 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1546Eig11_EA(dm)eigenvalue n. 11 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1547Eig12_EA(dm)eigenvalue n. 12 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1548Eig13_EA(dm)eigenvalue n. 13 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1549Eig14_EA(dm)eigenvalue n. 14 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1550Eig15_EA(dm)eigenvalue n. 15 from edge adjacency mat. weighted by dipole momentEdge adjacency indices
1551Eig01_EA(ri)eigenvalue n. 1 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1552Eig02_EA(ri)eigenvalue n. 2 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1553Eig03_EA(ri)eigenvalue n. 3 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1554Eig04_EA(ri)eigenvalue n. 4 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1555Eig05_EA(ri)eigenvalue n. 5 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1556Eig06_EA(ri)eigenvalue n. 6 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1557Eig07_EA(ri)eigenvalue n. 7 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1558Eig08_EA(ri)eigenvalue n. 8 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1559Eig09_EA(ri)eigenvalue n. 9 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1560Eig10_EA(ri)eigenvalue n. 10 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1561Eig11_EA(ri)eigenvalue n. 11 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1562Eig12_EA(ri)eigenvalue n. 12 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1563Eig13_EA(ri)eigenvalue n. 13 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1564Eig14_EA(ri)eigenvalue n. 14 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1565Eig15_EA(ri)eigenvalue n. 15 from edge adjacency mat. weighted by resonance integralEdge adjacency indices
1566Eig01_AEA(ed)eigenvalue n. 1 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1567Eig02_AEA(ed)eigenvalue n. 2 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1568Eig03_AEA(ed)eigenvalue n. 3 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1569Eig04_AEA(ed)eigenvalue n. 4 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1570Eig05_AEA(ed)eigenvalue n. 5 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1571Eig06_AEA(ed)eigenvalue n. 6 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1572Eig07_AEA(ed)eigenvalue n. 7 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1573Eig08_AEA(ed)eigenvalue n. 8 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1574Eig09_AEA(ed)eigenvalue n. 9 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1575Eig10_AEA(ed)eigenvalue n. 10 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1576Eig11_AEA(ed)eigenvalue n. 11 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1577Eig12_AEA(ed)eigenvalue n. 12 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1578Eig13_AEA(ed)eigenvalue n. 13 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1579Eig14_AEA(ed)eigenvalue n. 14 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1580Eig15_AEA(ed)eigenvalue n. 15 from augmented edge adjacency mat. weighted by edge degreeEdge adjacency indices
1581Eig01_AEA(bo)eigenvalue n. 1 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1582Eig02_AEA(bo)eigenvalue n. 2 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1583Eig03_AEA(bo)eigenvalue n. 3 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1584Eig04_AEA(bo)eigenvalue n. 4 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1585Eig05_AEA(bo)eigenvalue n. 5 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1586Eig06_AEA(bo)eigenvalue n. 6 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1587Eig07_AEA(bo)eigenvalue n. 7 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1588Eig08_AEA(bo)eigenvalue n. 8 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1589Eig09_AEA(bo)eigenvalue n. 9 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1590Eig10_AEA(bo)eigenvalue n. 10 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1591Eig11_AEA(bo)eigenvalue n. 11 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1592Eig12_AEA(bo)eigenvalue n. 12 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1593Eig13_AEA(bo)eigenvalue n. 13 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1594Eig14_AEA(bo)eigenvalue n. 14 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1595Eig15_AEA(bo)eigenvalue n. 15 from augmented edge adjacency mat. weighted by bond orderEdge adjacency indices
1596Eig01_AEA(dm)eigenvalue n. 1 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1597Eig02_AEA(dm)eigenvalue n. 2 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1598Eig03_AEA(dm)eigenvalue n. 3 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1599Eig04_AEA(dm)eigenvalue n. 4 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1600Eig05_AEA(dm)eigenvalue n. 5 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1601Eig06_AEA(dm)eigenvalue n. 6 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1602Eig07_AEA(dm)eigenvalue n. 7 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1603Eig08_AEA(dm)eigenvalue n. 8 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1604Eig09_AEA(dm)eigenvalue n. 9 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1605Eig10_AEA(dm)eigenvalue n. 10 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1606Eig11_AEA(dm)eigenvalue n. 11 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1607Eig12_AEA(dm)eigenvalue n. 12 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1608Eig13_AEA(dm)eigenvalue n. 13 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1609Eig14_AEA(dm)eigenvalue n. 14 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1610Eig15_AEA(dm)eigenvalue n. 15 from augmented edge adjacency mat. weighted by dipole momentEdge adjacency indices
1611Eig01_AEA(ri)eigenvalue n. 1 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1612Eig02_AEA(ri)eigenvalue n. 2 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1613Eig03_AEA(ri)eigenvalue n. 3 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1614Eig04_AEA(ri)eigenvalue n. 4 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1615Eig05_AEA(ri)eigenvalue n. 5 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1616Eig06_AEA(ri)eigenvalue n. 6 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1617Eig07_AEA(ri)eigenvalue n. 7 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1618Eig08_AEA(ri)eigenvalue n. 8 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1619Eig09_AEA(ri)eigenvalue n. 9 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1620Eig10_AEA(ri)eigenvalue n. 10 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1621Eig11_AEA(ri)eigenvalue n. 11 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1622Eig12_AEA(ri)eigenvalue n. 12 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1623Eig13_AEA(ri)eigenvalue n. 13 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1624Eig14_AEA(ri)eigenvalue n. 14 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1625Eig15_AEA(ri)eigenvalue n. 15 from augmented edge adjacency mat. weighted by resonance integralEdge adjacency indices
1626G1gravitational index G1Geometrical descriptors
1627G2gravitational index G2 (bond-restricted)Geometrical descriptors
1628RGyrradius of gyration (mass weighted)Geometrical descriptors
1629SPANspan RGeometrical descriptors
1630SPAMaverage span RGeometrical descriptors
1631MEccmolecular eccentricityGeometrical descriptors
1632SPHspherosityGeometrical descriptors
1633ASPasphericityGeometrical descriptors
1634PJI33D Petitjean shape indexGeometrical descriptors
1635L/Bwlength-to-breadth ratio by WHIMGeometrical descriptors
1636HOMAHarmonic Oscillator Model of Aromaticity indexGeometrical descriptors
1637CMBLconjugated maximum bond lengthGeometrical descriptors
1638AROMaromaticity indexGeometrical descriptors
1639HOMTHOMA totalGeometrical descriptors
1640DISPmdisplacement value / weighted by massGeometrical descriptors
1641QXXmquadrupole x-component value / weighted by massGeometrical descriptors
1642QYYmquadrupole y-component value / weighted by massGeometrical descriptors
1643QZZmquadrupole z-component value / weighted by massGeometrical descriptors
1644DISPvdisplacement value / weighted by van der Waals volumeGeometrical descriptors
1645QXXvquadrupole x-component value / weighted by van der Waals volumeGeometrical descriptors
1646QYYvquadrupole y-component value / weighted by van der Waals volumeGeometrical descriptors
1647QZZvquadrupole z-component value / weighted by van der Waals volumeGeometrical descriptors
1648DISPedisplacement value / weighted by Sanderson electronegativityGeometrical descriptors
1649QXXequadrupole x-component value / weighted by Sanderson electronegativityGeometrical descriptors
1650QYYequadrupole y-component value / weighted by Sanderson electronegativityGeometrical descriptors
1651QZZequadrupole z-component value / weighted by Sanderson electronegativityGeometrical descriptors
1652DISPpdisplacement value / weighted by polarizabilityGeometrical descriptors
1653QXXpquadrupole x-component value / weighted by polarizabilityGeometrical descriptors
1654QYYpquadrupole y-component value / weighted by polarizabilityGeometrical descriptors
1655QZZpquadrupole z-component value / weighted by polarizabilityGeometrical descriptors
1656DISPidisplacement value / weighted by ionization potentialGeometrical descriptors
1657QXXiquadrupole x-component value / weighted by ionization potentialGeometrical descriptors
1658QYYiquadrupole y-component value / weighted by ionization potentialGeometrical descriptors
1659QZZiquadrupole z-component value / weighted by ionization potentialGeometrical descriptors
1660DISPsdisplacement value / weighted by I-stateGeometrical descriptors
1661QXXsquadrupole x-component value / weighted by I-stateGeometrical descriptors
1662QYYsquadrupole y-component value / weighted by I-stateGeometrical descriptors
1663QZZsquadrupole z-component value / weighted by I-stateGeometrical descriptors
1664Wi_GWiener-like index from geometrical matrix3D matrix-based descriptors
1665WiA_Gaverage Wiener-like index from geometrical matrix3D matrix-based descriptors
1666AVS_Gaverage vertex sum from geometrical matrix3D matrix-based descriptors
1667H_GHarary-like index from geometrical matrix3D matrix-based descriptors
1668Chi_GRandic-like index from geometrical matrix3D matrix-based descriptors
1669ChiA_Gaverage Randic-like index from geometrical matrix3D matrix-based descriptors
1670J_GBalaban-like index from geometrical matrix3D matrix-based descriptors
1671HyWi_Ghyper-Wiener-like index from geometrical matrix3D matrix-based descriptors
1672SpAbs_Ggraph energy from geometrical matrix3D matrix-based descriptors
1673SpPos_Gspectral positive sum from geometrical matrix3D matrix-based descriptors
1674SpPosA_Gnormalized spectral positive sum from geometrical matrix3D matrix-based descriptors
1675SpPosLog_Glogarithmic spectral positive sum from geometrical matrix3D matrix-based descriptors
1676SpMax_Gleading eigenvalue from geometrical matrix3D matrix-based descriptors
1677SpMaxA_Gnormalized leading eigenvalue from geometrical matrix3D matrix-based descriptors
1678SpDiam_Gspectral diameter from geometrical matrix3D matrix-based descriptors
1679SpAD_Gspectral absolute deviation from geometrical matrix3D matrix-based descriptors
1680SpMAD_Gspectral mean absolute deviation from geometrical matrix3D matrix-based descriptors
1681Ho_GHosoya-like index (log function) from geometrical matrix3D matrix-based descriptors
1682EE_GEstrada-like index (log function) from geometrical matrix3D matrix-based descriptors
1683SM2_Gspectral moment of order 2 from geometrical matrix3D matrix-based descriptors
1684SM3_Gspectral moment of order 3 from geometrical matrix3D matrix-based descriptors
1685SM4_Gspectral moment of order 4 from geometrical matrix3D matrix-based descriptors
1686SM5_Gspectral moment of order 5 from geometrical matrix3D matrix-based descriptors
1687SM6_Gspectral moment of order 6 from geometrical matrix3D matrix-based descriptors
1688VE1_Gcoefficient sum of the last eigenvector (absolute values) from geometrical matrix3D matrix-based descriptors
1689VE2_Gaverage coefficient of the last eigenvector (absolute values) from geometrical matrix3D matrix-based descriptors
1690VE3_Glogarithmic coefficient sum of the last eigenvector (absolute values) from geometrical matrix3D matrix-based descriptors
1691VE1sign_Gcoefficient sum of the last eigenvector from geometrical matrix3D matrix-based descriptors
1692VE2sign_Gaverage coefficient of the last eigenvector from geometrical matrix3D matrix-based descriptors
1693VE3sign_Glogarithmic coefficient sum of the last eigenvector from geometrical matrix3D matrix-based descriptors
1694VR1_GRandic-like eigenvector-based index from geometrical matrix3D matrix-based descriptors
1695VR2_Gnormalized Randic-like eigenvector-based index from geometrical matrix3D matrix-based descriptors
1696VR3_Glogarithmic Randic-like eigenvector-based index from geometrical matrix3D matrix-based descriptors
1697Wi_RGWiener-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1698WiA_RGaverage Wiener-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1699AVS_RGaverage vertex sum from reciprocal squared geometrical matrix3D matrix-based descriptors
1700H_RGHarary-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1701Chi_RGRandic-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1702ChiA_RGaverage Randic-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1703J_RGBalaban-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1704HyWi_RGhyper-Wiener-like index from reciprocal squared geometrical matrix3D matrix-based descriptors
1705SpAbs_RGgraph energy from reciprocal squared geometrical matrix3D matrix-based descriptors
1706SpPos_RGspectral positive sum from reciprocal squared geometrical matrix3D matrix-based descriptors
1707SpPosA_RGnormalized spectral positive sum from reciprocal squared geometrical matrix3D matrix-based descriptors
1708SpPosLog_RGlogarithmic spectral positive sum from reciprocal squared geometrical matrix3D matrix-based descriptors
1709SpMax_RGleading eigenvalue from reciprocal squared geometrical matrix3D matrix-based descriptors
1710SpMaxA_RGnormalized leading eigenvalue from reciprocal squared geometrical matrix3D matrix-based descriptors
1711SpDiam_RGspectral diameter from reciprocal squared geometrical matrix3D matrix-based descriptors
1712SpAD_RGspectral absolute deviation from reciprocal squared geometrical matrix3D matrix-based descriptors
1713SpMAD_RGspectral mean absolute deviation from reciprocal squared geometrical matrix3D matrix-based descriptors
1714Ho_RGHosoya-like index (log function) from reciprocal squared geometrical matrix3D matrix-based descriptors
1715EE_RGEstrada-like index (log function) from reciprocal squared geometrical matrix3D matrix-based descriptors
1716SM2_RGspectral moment of order 2 from reciprocal squared geometrical matrix3D matrix-based descriptors
1717SM3_RGspectral moment of order 3 from reciprocal squared geometrical matrix3D matrix-based descriptors
1718SM4_RGspectral moment of order 4 from reciprocal squared geometrical matrix3D matrix-based descriptors
1719SM5_RGspectral moment of order 5 from reciprocal squared geometrical matrix3D matrix-based descriptors
1720SM6_RGspectral moment of order 6 from reciprocal squared geometrical matrix3D matrix-based descriptors
1721VE1_RGcoefficient sum of the last eigenvector (absolute values) from reciprocal squared geometrical matrix3D matrix-based descriptors
1722VE2_RGaverage coefficient of the last eigenvector (absolute values) from reciprocal squared geometrical matrix3D matrix-based descriptors
1723VE3_RGlogarithmic coefficient sum of the last eigenvector (absolute values) from reciprocal squared geometrical matrix3D matrix-based descriptors
1724VE1sign_RGcoefficient sum of the last eigenvector from reciprocal squared geometrical matrix3D matrix-based descriptors
1725VE2sign_RGaverage coefficient of the last eigenvector from reciprocal squared geometrical matrix3D matrix-based descriptors
1726VE3sign_RGlogarithmic coefficient sum of the last eigenvector from reciprocal squared geometrical matrix3D matrix-based descriptors
1727VR1_RGRandic-like eigenvector-based index from reciprocal squared geometrical matrix3D matrix-based descriptors
1728VR2_RGnormalized Randic-like eigenvector-based index from reciprocal squared geometrical matrix3D matrix-based descriptors
1729VR3_RGlogarithmic Randic-like eigenvector-based index from reciprocal squared geometrical matrix3D matrix-based descriptors
1730Wi_G/DWiener-like index from distance/distance matrix3D matrix-based descriptors
1731WiA_G/Daverage Wiener-like index from distance/distance matrix3D matrix-based descriptors
1732AVS_G/Daverage vertex sum from distance/distance matrix3D matrix-based descriptors
1733H_G/DHarary-like index from distance/distance matrix3D matrix-based descriptors
1734Chi_G/DRandic-like index from distance/distance matrix3D matrix-based descriptors
1735ChiA_G/Daverage Randic-like index from distance/distance matrix3D matrix-based descriptors
1736J_G/DBalaban-like index from distance/distance matrix3D matrix-based descriptors
1737HyWi_G/Dhyper-Wiener-like index from distance/distance matrix3D matrix-based descriptors
1738SpAbs_G/Dgraph energy from distance/distance matrix3D matrix-based descriptors
1739SpPos_G/Dspectral positive sum from distance/distance matrix3D matrix-based descriptors
1740SpPosA_G/Dnormalized spectral positive sum from distance/distance matrix3D matrix-based descriptors
1741SpPosLog_G/Dlogarithmic spectral positive sum from distance/distance matrix3D matrix-based descriptors
1742SpMax_G/Dleading eigenvalue from distance/distance matrix3D matrix-based descriptors
1743SpMaxA_G/Dnormalized leading eigenvalue from distance/distance matrix (folding degree index)3D matrix-based descriptors
1744SpDiam_G/Dspectral diameter from distance/distance matrix3D matrix-based descriptors
1745SpAD_G/Dspectral absolute deviation from distance/distance matrix3D matrix-based descriptors
1746SpMAD_G/Dspectral mean absolute deviation from distance/distance matrix3D matrix-based descriptors
1747Ho_G/DHosoya-like index (log function) from distance/distance matrix3D matrix-based descriptors
1748EE_G/DEstrada-like index (log function) from distance/distance matrix3D matrix-based descriptors
1749SM2_G/Dspectral moment of order 2 from distance/distance matrix3D matrix-based descriptors
1750SM3_G/Dspectral moment of order 3 from distance/distance matrix3D matrix-based descriptors
1751SM4_G/Dspectral moment of order 4 from distance/distance matrix3D matrix-based descriptors
1752SM5_G/Dspectral moment of order 5 from distance/distance matrix3D matrix-based descriptors
1753SM6_G/Dspectral moment of order 6 from distance/distance matrix3D matrix-based descriptors
1754VE1_G/Dcoefficient sum of the last eigenvector (absolute values) from distance/distance matrix3D matrix-based descriptors
1755VE2_G/Daverage coefficient of the last eigenvector (absolute values) from distance/distance matrix3D matrix-based descriptors
1756VE3_G/Dlogarithmic coefficient sum of the last eigenvector (absolute values) from distance/distance matrix3D matrix-based descriptors
1757VE1sign_G/Dcoefficient sum of the last eigenvector from distance/distance matrix3D matrix-based descriptors
1758VE2sign_G/Daverage coefficient of the last eigenvector from distance/distance matrix3D matrix-based descriptors
1759VE3sign_G/Dlogarithmic coefficient sum of the last eigenvector from distance/distance matrix3D matrix-based descriptors
1760VR1_G/DRandic-like eigenvector-based index from distance/distance matrix3D matrix-based descriptors
1761VR2_G/Dnormalized Randic-like eigenvector-based index from distance/distance matrix3D matrix-based descriptors
1762VR3_G/Dlogarithmic Randic-like eigenvector-based index from distance/distance matrix3D matrix-based descriptors
1763TDB01u3D Topological distance based descriptors - lag 1 unweighted3D autocorrelations
1764TDB02u3D Topological distance based descriptors - lag 2 unweighted3D autocorrelations
1765TDB03u3D Topological distance based descriptors - lag 3 unweighted3D autocorrelations
1766TDB04u3D Topological distance based descriptors - lag 4 unweighted3D autocorrelations
1767TDB05u3D Topological distance based descriptors - lag 5 unweighted3D autocorrelations
1768TDB06u3D Topological distance based descriptors - lag 6 unweighted3D autocorrelations
1769TDB07u3D Topological distance based descriptors - lag 7 unweighted3D autocorrelations
1770TDB08u3D Topological distance based descriptors - lag 8 unweighted3D autocorrelations
1771TDB09u3D Topological distance based descriptors - lag 9 unweighted3D autocorrelations
1772TDB10u3D Topological distance based descriptors - lag 10 unweighted3D autocorrelations
1773TDB01m3D Topological distance based descriptors - lag 1 weighted by mass3D autocorrelations
1774TDB02m3D Topological distance based descriptors - lag 2 weighted by mass3D autocorrelations
1775TDB03m3D Topological distance based descriptors - lag 3 weighted by mass3D autocorrelations
1776TDB04m3D Topological distance based descriptors - lag 4 weighted by mass3D autocorrelations
1777TDB05m3D Topological distance based descriptors - lag 5 weighted by mass3D autocorrelations
1778TDB06m3D Topological distance based descriptors - lag 6 weighted by mass3D autocorrelations
1779TDB07m3D Topological distance based descriptors - lag 7 weighted by mass3D autocorrelations
1780TDB08m3D Topological distance based descriptors - lag 8 weighted by mass3D autocorrelations
1781TDB09m3D Topological distance based descriptors - lag 9 weighted by mass3D autocorrelations
1782TDB10m3D Topological distance based descriptors - lag 10 weighted by mass3D autocorrelations
1783TDB01v3D Topological distance based descriptors - lag 1 weighted by van der Waals volume3D autocorrelations
1784TDB02v3D Topological distance based descriptors - lag 2 weighted by van der Waals volume3D autocorrelations
1785TDB03v3D Topological distance based descriptors - lag 3 weighted by van der Waals volume3D autocorrelations
1786TDB04v3D Topological distance based descriptors - lag 4 weighted by van der Waals volume3D autocorrelations
1787TDB05v3D Topological distance based descriptors - lag 5 weighted by van der Waals volume3D autocorrelations
1788TDB06v3D Topological distance based descriptors - lag 6 weighted by van der Waals volume3D autocorrelations
1789TDB07v3D Topological distance based descriptors - lag 7 weighted by van der Waals volume3D autocorrelations
1790TDB08v3D Topological distance based descriptors - lag 8 weighted by van der Waals volume3D autocorrelations
1791TDB09v3D Topological distance based descriptors - lag 9 weighted by van der Waals volume3D autocorrelations
1792TDB10v3D Topological distance based descriptors - lag 10 weighted by van der Waals volume3D autocorrelations
1793TDB01e3D Topological distance based descriptors - lag 1 weighted by Sanderson electronegativity3D autocorrelations
1794TDB02e3D Topological distance based descriptors - lag 2 weighted by Sanderson electronegativity3D autocorrelations
1795TDB03e3D Topological distance based descriptors - lag 3 weighted by Sanderson electronegativity3D autocorrelations
1796TDB04e3D Topological distance based descriptors - lag 4 weighted by Sanderson electronegativity3D autocorrelations
1797TDB05e3D Topological distance based descriptors - lag 5 weighted by Sanderson electronegativity3D autocorrelations
1798TDB06e3D Topological distance based descriptors - lag 6 weighted by Sanderson electronegativity3D autocorrelations
1799TDB07e3D Topological distance based descriptors - lag 7 weighted by Sanderson electronegativity3D autocorrelations
1800TDB08e3D Topological distance based descriptors - lag 8 weighted by Sanderson electronegativity3D autocorrelations
1801TDB09e3D Topological distance based descriptors - lag 9 weighted by Sanderson electronegativity3D autocorrelations
1802TDB10e3D Topological distance based descriptors - lag 10 weighted by Sanderson electronegativity3D autocorrelations
1803TDB01p3D Topological distance based descriptors - lag 1 weighted by polarizability3D autocorrelations
1804TDB02p3D Topological distance based descriptors - lag 2 weighted by polarizability3D autocorrelations
1805TDB03p3D Topological distance based descriptors - lag 3 weighted by polarizability3D autocorrelations
1806TDB04p3D Topological distance based descriptors - lag 4 weighted by polarizability3D autocorrelations
1807TDB05p3D Topological distance based descriptors - lag 5 weighted by polarizability3D autocorrelations
1808TDB06p3D Topological distance based descriptors - lag 6 weighted by polarizability3D autocorrelations
1809TDB07p3D Topological distance based descriptors - lag 7 weighted by polarizability3D autocorrelations
1810TDB08p3D Topological distance based descriptors - lag 8 weighted by polarizability3D autocorrelations
1811TDB09p3D Topological distance based descriptors - lag 9 weighted by polarizability3D autocorrelations
1812TDB10p3D Topological distance based descriptors - lag 10 weighted by polarizability3D autocorrelations
1813TDB01i3D Topological distance based descriptors - lag 1 weighted by ionization potential3D autocorrelations
1814TDB02i3D Topological distance based descriptors - lag 2 weighted by ionization potential3D autocorrelations
1815TDB03i3D Topological distance based descriptors - lag 3 weighted by ionization potential3D autocorrelations
1816TDB04i3D Topological distance based descriptors - lag 4 weighted by ionization potential3D autocorrelations
1817TDB05i3D Topological distance based descriptors - lag 5 weighted by ionization potential3D autocorrelations
1818TDB06i3D Topological distance based descriptors - lag 6 weighted by ionization potential3D autocorrelations
1819TDB07i3D Topological distance based descriptors - lag 7 weighted by ionization potential3D autocorrelations
1820TDB08i3D Topological distance based descriptors - lag 8 weighted by ionization potential3D autocorrelations
1821TDB09i3D Topological distance based descriptors - lag 9 weighted by ionization potential3D autocorrelations
1822TDB10i3D Topological distance based descriptors - lag 10 weighted by ionization potential3D autocorrelations
1823TDB01s3D Topological distance based descriptors - lag 1 weighted by I-state3D autocorrelations
1824TDB02s3D Topological distance based descriptors - lag 2 weighted by I-state3D autocorrelations
1825TDB03s3D Topological distance based descriptors - lag 3 weighted by I-state3D autocorrelations
1826TDB04s3D Topological distance based descriptors - lag 4 weighted by I-state3D autocorrelations
1827TDB05s3D Topological distance based descriptors - lag 5 weighted by I-state3D autocorrelations
1828TDB06s3D Topological distance based descriptors - lag 6 weighted by I-state3D autocorrelations
1829TDB07s3D Topological distance based descriptors - lag 7 weighted by I-state3D autocorrelations
1830TDB08s3D Topological distance based descriptors - lag 8 weighted by I-state3D autocorrelations
1831TDB09s3D Topological distance based descriptors - lag 9 weighted by I-state3D autocorrelations
1832TDB10s3D Topological distance based descriptors - lag 10 weighted by I-state3D autocorrelations
1833TDB01r3D Topological distance based descriptors - lag 1 weighted by covalent radius3D autocorrelations
1834TDB02r3D Topological distance based descriptors - lag 2 weighted by covalent radius3D autocorrelations
1835TDB03r3D Topological distance based descriptors - lag 3 weighted by covalent radius3D autocorrelations
1836TDB04r3D Topological distance based descriptors - lag 4 weighted by covalent radius3D autocorrelations
1837TDB05r3D Topological distance based descriptors - lag 5 weighted by covalent radius3D autocorrelations
1838TDB06r3D Topological distance based descriptors - lag 6 weighted by covalent radius3D autocorrelations
1839TDB07r3D Topological distance based descriptors - lag 7 weighted by covalent radius3D autocorrelations
1840TDB08r3D Topological distance based descriptors - lag 8 weighted by covalent radius3D autocorrelations
1841TDB09r3D Topological distance based descriptors - lag 9 weighted by covalent radius3D autocorrelations
1842TDB10r3D Topological distance based descriptors - lag 10 weighted by covalent radius3D autocorrelations
1843RDF010uRadial Distribution Function - 010 / unweightedRDF descriptors
1844RDF015uRadial Distribution Function - 015 / unweightedRDF descriptors
1845RDF020uRadial Distribution Function - 020 / unweightedRDF descriptors
1846RDF025uRadial Distribution Function - 025 / unweightedRDF descriptors
1847RDF030uRadial Distribution Function - 030 / unweightedRDF descriptors
1848RDF035uRadial Distribution Function - 035 / unweightedRDF descriptors
1849RDF040uRadial Distribution Function - 040 / unweightedRDF descriptors
1850RDF045uRadial Distribution Function - 045 / unweightedRDF descriptors
1851RDF050uRadial Distribution Function - 050 / unweightedRDF descriptors
1852RDF055uRadial Distribution Function - 055 / unweightedRDF descriptors
1853RDF060uRadial Distribution Function - 060 / unweightedRDF descriptors
1854RDF065uRadial Distribution Function - 065 / unweightedRDF descriptors
1855RDF070uRadial Distribution Function - 070 / unweightedRDF descriptors
1856RDF075uRadial Distribution Function - 075 / unweightedRDF descriptors
1857RDF080uRadial Distribution Function - 080 / unweightedRDF descriptors
1858RDF085uRadial Distribution Function - 085 / unweightedRDF descriptors
1859RDF090uRadial Distribution Function - 090 / unweightedRDF descriptors
1860RDF095uRadial Distribution Function - 095 / unweightedRDF descriptors
1861RDF100uRadial Distribution Function - 100 / unweightedRDF descriptors
1862RDF105uRadial Distribution Function - 105 / unweightedRDF descriptors
1863RDF110uRadial Distribution Function - 110 / unweightedRDF descriptors
1864RDF115uRadial Distribution Function - 115 / unweightedRDF descriptors
1865RDF120uRadial Distribution Function - 120 / unweightedRDF descriptors
1866RDF125uRadial Distribution Function - 125 / unweightedRDF descriptors
1867RDF130uRadial Distribution Function - 130 / unweightedRDF descriptors
1868RDF135uRadial Distribution Function - 135 / unweightedRDF descriptors
1869RDF140uRadial Distribution Function - 140 / unweightedRDF descriptors
1870RDF145uRadial Distribution Function - 145 / unweightedRDF descriptors
1871RDF150uRadial Distribution Function - 150 / unweightedRDF descriptors
1872RDF155uRadial Distribution Function - 155 / unweightedRDF descriptors
1873RDF010mRadial Distribution Function - 010 / weighted by massRDF descriptors
1874RDF015mRadial Distribution Function - 015 / weighted by massRDF descriptors
1875RDF020mRadial Distribution Function - 020 / weighted by massRDF descriptors
1876RDF025mRadial Distribution Function - 025 / weighted by massRDF descriptors
1877RDF030mRadial Distribution Function - 030 / weighted by massRDF descriptors
1878RDF035mRadial Distribution Function - 035 / weighted by massRDF descriptors
1879RDF040mRadial Distribution Function - 040 / weighted by massRDF descriptors
1880RDF045mRadial Distribution Function - 045 / weighted by massRDF descriptors
1881RDF050mRadial Distribution Function - 050 / weighted by massRDF descriptors
1882RDF055mRadial Distribution Function - 055 / weighted by massRDF descriptors
1883RDF060mRadial Distribution Function - 060 / weighted by massRDF descriptors
1884RDF065mRadial Distribution Function - 065 / weighted by massRDF descriptors
1885RDF070mRadial Distribution Function - 070 / weighted by massRDF descriptors
1886RDF075mRadial Distribution Function - 075 / weighted by massRDF descriptors
1887RDF080mRadial Distribution Function - 080 / weighted by massRDF descriptors
1888RDF085mRadial Distribution Function - 085 / weighted by massRDF descriptors
1889RDF090mRadial Distribution Function - 090 / weighted by massRDF descriptors
1890RDF095mRadial Distribution Function - 095 / weighted by massRDF descriptors
1891RDF100mRadial Distribution Function - 100 / weighted by massRDF descriptors
1892RDF105mRadial Distribution Function - 105 / weighted by massRDF descriptors
1893RDF110mRadial Distribution Function - 110 / weighted by massRDF descriptors
1894RDF115mRadial Distribution Function - 115 / weighted by massRDF descriptors
1895RDF120mRadial Distribution Function - 120 / weighted by massRDF descriptors
1896RDF125mRadial Distribution Function - 125 / weighted by massRDF descriptors
1897RDF130mRadial Distribution Function - 130 / weighted by massRDF descriptors
1898RDF135mRadial Distribution Function - 135 / weighted by massRDF descriptors
1899RDF140mRadial Distribution Function - 140 / weighted by massRDF descriptors
1900RDF145mRadial Distribution Function - 145 / weighted by massRDF descriptors
1901RDF150mRadial Distribution Function - 150 / weighted by massRDF descriptors
1902RDF155mRadial Distribution Function - 155 / weighted by massRDF descriptors
1903RDF010vRadial Distribution Function - 010 / weighted by van der Waals volumeRDF descriptors
1904RDF015vRadial Distribution Function - 015 / weighted by van der Waals volumeRDF descriptors
1905RDF020vRadial Distribution Function - 020 / weighted by van der Waals volumeRDF descriptors
1906RDF025vRadial Distribution Function - 025 / weighted by van der Waals volumeRDF descriptors
1907RDF030vRadial Distribution Function - 030 / weighted by van der Waals volumeRDF descriptors
1908RDF035vRadial Distribution Function - 035 / weighted by van der Waals volumeRDF descriptors
1909RDF040vRadial Distribution Function - 040 / weighted by van der Waals volumeRDF descriptors
1910RDF045vRadial Distribution Function - 045 / weighted by van der Waals volumeRDF descriptors
1911RDF050vRadial Distribution Function - 050 / weighted by van der Waals volumeRDF descriptors
1912RDF055vRadial Distribution Function - 055 / weighted by van der Waals volumeRDF descriptors
1913RDF060vRadial Distribution Function - 060 / weighted by van der Waals volumeRDF descriptors
1914RDF065vRadial Distribution Function - 065 / weighted by van der Waals volumeRDF descriptors
1915RDF070vRadial Distribution Function - 070 / weighted by van der Waals volumeRDF descriptors
1916RDF075vRadial Distribution Function - 075 / weighted by van der Waals volumeRDF descriptors
1917RDF080vRadial Distribution Function - 080 / weighted by van der Waals volumeRDF descriptors
1918RDF085vRadial Distribution Function - 085 / weighted by van der Waals volumeRDF descriptors
1919RDF090vRadial Distribution Function - 090 / weighted by van der Waals volumeRDF descriptors
1920RDF095vRadial Distribution Function - 095 / weighted by van der Waals volumeRDF descriptors
1921RDF100vRadial Distribution Function - 100 / weighted by van der Waals volumeRDF descriptors
1922RDF105vRadial Distribution Function - 105 / weighted by van der Waals volumeRDF descriptors
1923RDF110vRadial Distribution Function - 110 / weighted by van der Waals volumeRDF descriptors
1924RDF115vRadial Distribution Function - 115 / weighted by van der Waals volumeRDF descriptors
1925RDF120vRadial Distribution Function - 120 / weighted by van der Waals volumeRDF descriptors
1926RDF125vRadial Distribution Function - 125 / weighted by van der Waals volumeRDF descriptors
1927RDF130vRadial Distribution Function - 130 / weighted by van der Waals volumeRDF descriptors
1928RDF135vRadial Distribution Function - 135 / weighted by van der Waals volumeRDF descriptors
1929RDF140vRadial Distribution Function - 140 / weighted by van der Waals volumeRDF descriptors
1930RDF145vRadial Distribution Function - 145 / weighted by van der Waals volumeRDF descriptors
1931RDF150vRadial Distribution Function - 150 / weighted by van der Waals volumeRDF descriptors
1932RDF155vRadial Distribution Function - 155 / weighted by van der Waals volumeRDF descriptors
1933RDF010eRadial Distribution Function - 010 / weighted by Sanderson electronegativityRDF descriptors
1934RDF015eRadial Distribution Function - 015 / weighted by Sanderson electronegativityRDF descriptors
1935RDF020eRadial Distribution Function - 020 / weighted by Sanderson electronegativityRDF descriptors
1936RDF025eRadial Distribution Function - 025 / weighted by Sanderson electronegativityRDF descriptors
1937RDF030eRadial Distribution Function - 030 / weighted by Sanderson electronegativityRDF descriptors
1938RDF035eRadial Distribution Function - 035 / weighted by Sanderson electronegativityRDF descriptors
1939RDF040eRadial Distribution Function - 040 / weighted by Sanderson electronegativityRDF descriptors
1940RDF045eRadial Distribution Function - 045 / weighted by Sanderson electronegativityRDF descriptors
1941RDF050eRadial Distribution Function - 050 / weighted by Sanderson electronegativityRDF descriptors
1942RDF055eRadial Distribution Function - 055 / weighted by Sanderson electronegativityRDF descriptors
1943RDF060eRadial Distribution Function - 060 / weighted by Sanderson electronegativityRDF descriptors
1944RDF065eRadial Distribution Function - 065 / weighted by Sanderson electronegativityRDF descriptors
1945RDF070eRadial Distribution Function - 070 / weighted by Sanderson electronegativityRDF descriptors
1946RDF075eRadial Distribution Function - 075 / weighted by Sanderson electronegativityRDF descriptors
1947RDF080eRadial Distribution Function - 080 / weighted by Sanderson electronegativityRDF descriptors
1948RDF085eRadial Distribution Function - 085 / weighted by Sanderson electronegativityRDF descriptors
1949RDF090eRadial Distribution Function - 090 / weighted by Sanderson electronegativityRDF descriptors
1950RDF095eRadial Distribution Function - 095 / weighted by Sanderson electronegativityRDF descriptors
1951RDF100eRadial Distribution Function - 100 / weighted by Sanderson electronegativityRDF descriptors
1952RDF105eRadial Distribution Function - 105 / weighted by Sanderson electronegativityRDF descriptors
1953RDF110eRadial Distribution Function - 110 / weighted by Sanderson electronegativityRDF descriptors
1954RDF115eRadial Distribution Function - 115 / weighted by Sanderson electronegativityRDF descriptors
1955RDF120eRadial Distribution Function - 120 / weighted by Sanderson electronegativityRDF descriptors
1956RDF125eRadial Distribution Function - 125 / weighted by Sanderson electronegativityRDF descriptors
1957RDF130eRadial Distribution Function - 130 / weighted by Sanderson electronegativityRDF descriptors
1958RDF135eRadial Distribution Function - 135 / weighted by Sanderson electronegativityRDF descriptors
1959RDF140eRadial Distribution Function - 140 / weighted by Sanderson electronegativityRDF descriptors
1960RDF145eRadial Distribution Function - 145 / weighted by Sanderson electronegativityRDF descriptors
1961RDF150eRadial Distribution Function - 150 / weighted by Sanderson electronegativityRDF descriptors
1962RDF155eRadial Distribution Function - 155 / weighted by Sanderson electronegativityRDF descriptors
1963RDF010pRadial Distribution Function - 010 / weighted by polarizabilityRDF descriptors
1964RDF015pRadial Distribution Function - 015 / weighted by polarizabilityRDF descriptors
1965RDF020pRadial Distribution Function - 020 / weighted by polarizabilityRDF descriptors
1966RDF025pRadial Distribution Function - 025 / weighted by polarizabilityRDF descriptors
1967RDF030pRadial Distribution Function - 030 / weighted by polarizabilityRDF descriptors
1968RDF035pRadial Distribution Function - 035 / weighted by polarizabilityRDF descriptors
1969RDF040pRadial Distribution Function - 040 / weighted by polarizabilityRDF descriptors
1970RDF045pRadial Distribution Function - 045 / weighted by polarizabilityRDF descriptors
1971RDF050pRadial Distribution Function - 050 / weighted by polarizabilityRDF descriptors
1972RDF055pRadial Distribution Function - 055 / weighted by polarizabilityRDF descriptors
1973RDF060pRadial Distribution Function - 060 / weighted by polarizabilityRDF descriptors
1974RDF065pRadial Distribution Function - 065 / weighted by polarizabilityRDF descriptors
1975RDF070pRadial Distribution Function - 070 / weighted by polarizabilityRDF descriptors
1976RDF075pRadial Distribution Function - 075 / weighted by polarizabilityRDF descriptors
1977RDF080pRadial Distribution Function - 080 / weighted by polarizabilityRDF descriptors
1978RDF085pRadial Distribution Function - 085 / weighted by polarizabilityRDF descriptors
1979RDF090pRadial Distribution Function - 090 / weighted by polarizabilityRDF descriptors
1980RDF095pRadial Distribution Function - 095 / weighted by polarizabilityRDF descriptors
1981RDF100pRadial Distribution Function - 100 / weighted by polarizabilityRDF descriptors
1982RDF105pRadial Distribution Function - 105 / weighted by polarizabilityRDF descriptors
1983RDF110pRadial Distribution Function - 110 / weighted by polarizabilityRDF descriptors
1984RDF115pRadial Distribution Function - 115 / weighted by polarizabilityRDF descriptors
1985RDF120pRadial Distribution Function - 120 / weighted by polarizabilityRDF descriptors
1986RDF125pRadial Distribution Function - 125 / weighted by polarizabilityRDF descriptors
1987RDF130pRadial Distribution Function - 130 / weighted by polarizabilityRDF descriptors
1988RDF135pRadial Distribution Function - 135 / weighted by polarizabilityRDF descriptors
1989RDF140pRadial Distribution Function - 140 / weighted by polarizabilityRDF descriptors
1990RDF145pRadial Distribution Function - 145 / weighted by polarizabilityRDF descriptors
1991RDF150pRadial Distribution Function - 150 / weighted by polarizabilityRDF descriptors
1992RDF155pRadial Distribution Function - 155 / weighted by polarizabilityRDF descriptors
1993RDF010iRadial Distribution Function - 010 / weighted by ionization potentialRDF descriptors
1994RDF015iRadial Distribution Function - 015 / weighted by ionization potentialRDF descriptors
1995RDF020iRadial Distribution Function - 020 / weighted by ionization potentialRDF descriptors
1996RDF025iRadial Distribution Function - 025 / weighted by ionization potentialRDF descriptors
1997RDF030iRadial Distribution Function - 030 / weighted by ionization potentialRDF descriptors
1998RDF035iRadial Distribution Function - 035 / weighted by ionization potentialRDF descriptors
1999RDF040iRadial Distribution Function - 040 / weighted by ionization potentialRDF descriptors
2000RDF045iRadial Distribution Function - 045 / weighted by ionization potentialRDF descriptors
2001RDF050iRadial Distribution Function - 050 / weighted by ionization potentialRDF descriptors
2002RDF055iRadial Distribution Function - 055 / weighted by ionization potentialRDF descriptors
2003RDF060iRadial Distribution Function - 060 / weighted by ionization potentialRDF descriptors
2004RDF065iRadial Distribution Function - 065 / weighted by ionization potentialRDF descriptors
2005RDF070iRadial Distribution Function - 070 / weighted by ionization potentialRDF descriptors
2006RDF075iRadial Distribution Function - 075 / weighted by ionization potentialRDF descriptors
2007RDF080iRadial Distribution Function - 080 / weighted by ionization potentialRDF descriptors
2008RDF085iRadial Distribution Function - 085 / weighted by ionization potentialRDF descriptors
2009RDF090iRadial Distribution Function - 090 / weighted by ionization potentialRDF descriptors
2010RDF095iRadial Distribution Function - 095 / weighted by ionization potentialRDF descriptors
2011RDF100iRadial Distribution Function - 100 / weighted by ionization potentialRDF descriptors
2012RDF105iRadial Distribution Function - 105 / weighted by ionization potentialRDF descriptors
2013RDF110iRadial Distribution Function - 110 / weighted by ionization potentialRDF descriptors
2014RDF115iRadial Distribution Function - 115 / weighted by ionization potentialRDF descriptors
2015RDF120iRadial Distribution Function - 120 / weighted by ionization potentialRDF descriptors
2016RDF125iRadial Distribution Function - 125 / weighted by ionization potentialRDF descriptors
2017RDF130iRadial Distribution Function - 130 / weighted by ionization potentialRDF descriptors
2018RDF135iRadial Distribution Function - 135 / weighted by ionization potentialRDF descriptors
2019RDF140iRadial Distribution Function - 140 / weighted by ionization potentialRDF descriptors
2020RDF145iRadial Distribution Function - 145 / weighted by ionization potentialRDF descriptors
2021RDF150iRadial Distribution Function - 150 / weighted by ionization potentialRDF descriptors
2022RDF155iRadial Distribution Function - 155 / weighted by ionization potentialRDF descriptors
2023RDF010sRadial Distribution Function - 010 / weighted by I-stateRDF descriptors
2024RDF015sRadial Distribution Function - 015 / weighted by I-stateRDF descriptors
2025RDF020sRadial Distribution Function - 020 / weighted by I-stateRDF descriptors
2026RDF025sRadial Distribution Function - 025 / weighted by I-stateRDF descriptors
2027RDF030sRadial Distribution Function - 030 / weighted by I-stateRDF descriptors
2028RDF035sRadial Distribution Function - 035 / weighted by I-stateRDF descriptors
2029RDF040sRadial Distribution Function - 040 / weighted by I-stateRDF descriptors
2030RDF045sRadial Distribution Function - 045 / weighted by I-stateRDF descriptors
2031RDF050sRadial Distribution Function - 050 / weighted by I-stateRDF descriptors
2032RDF055sRadial Distribution Function - 055 / weighted by I-stateRDF descriptors
2033RDF060sRadial Distribution Function - 060 / weighted by I-stateRDF descriptors
2034RDF065sRadial Distribution Function - 065 / weighted by I-stateRDF descriptors
2035RDF070sRadial Distribution Function - 070 / weighted by I-stateRDF descriptors
2036RDF075sRadial Distribution Function - 075 / weighted by I-stateRDF descriptors
2037RDF080sRadial Distribution Function - 080 / weighted by I-stateRDF descriptors
2038RDF085sRadial Distribution Function - 085 / weighted by I-stateRDF descriptors
2039RDF090sRadial Distribution Function - 090 / weighted by I-stateRDF descriptors
2040RDF095sRadial Distribution Function - 095 / weighted by I-stateRDF descriptors
2041RDF100sRadial Distribution Function - 100 / weighted by I-stateRDF descriptors
2042RDF105sRadial Distribution Function - 105 / weighted by I-stateRDF descriptors
2043RDF110sRadial Distribution Function - 110 / weighted by I-stateRDF descriptors
2044RDF115sRadial Distribution Function - 115 / weighted by I-stateRDF descriptors
2045RDF120sRadial Distribution Function - 120 / weighted by I-stateRDF descriptors
2046RDF125sRadial Distribution Function - 125 / weighted by I-stateRDF descriptors
2047RDF130sRadial Distribution Function - 130 / weighted by I-stateRDF descriptors
2048RDF135sRadial Distribution Function - 135 / weighted by I-stateRDF descriptors
2049RDF140sRadial Distribution Function - 140 / weighted by I-stateRDF descriptors
2050RDF145sRadial Distribution Function - 145 / weighted by I-stateRDF descriptors
2051RDF150sRadial Distribution Function - 150 / weighted by I-stateRDF descriptors
2052RDF155sRadial Distribution Function - 155 / weighted by I-stateRDF descriptors
2053Mor01usignal 01 / unweighted3D-MoRSE descriptors
2054Mor02usignal 02 / unweighted3D-MoRSE descriptors
2055Mor03usignal 03 / unweighted3D-MoRSE descriptors
2056Mor04usignal 04 / unweighted3D-MoRSE descriptors
2057Mor05usignal 05 / unweighted3D-MoRSE descriptors
2058Mor06usignal 06 / unweighted3D-MoRSE descriptors
2059Mor07usignal 07 / unweighted3D-MoRSE descriptors
2060Mor08usignal 08 / unweighted3D-MoRSE descriptors
2061Mor09usignal 09 / unweighted3D-MoRSE descriptors
2062Mor10usignal 10 / unweighted3D-MoRSE descriptors
2063Mor11usignal 11 / unweighted3D-MoRSE descriptors
2064Mor12usignal 12 / unweighted3D-MoRSE descriptors
2065Mor13usignal 13 / unweighted3D-MoRSE descriptors
2066Mor14usignal 14 / unweighted3D-MoRSE descriptors
2067Mor15usignal 15 / unweighted3D-MoRSE descriptors
2068Mor16usignal 16 / unweighted3D-MoRSE descriptors
2069Mor17usignal 17 / unweighted3D-MoRSE descriptors
2070Mor18usignal 18 / unweighted3D-MoRSE descriptors
2071Mor19usignal 19 / unweighted3D-MoRSE descriptors
2072Mor20usignal 20 / unweighted3D-MoRSE descriptors
2073Mor21usignal 21 / unweighted3D-MoRSE descriptors
2074Mor22usignal 22 / unweighted3D-MoRSE descriptors
2075Mor23usignal 23 / unweighted3D-MoRSE descriptors
2076Mor24usignal 24 / unweighted3D-MoRSE descriptors
2077Mor25usignal 25 / unweighted3D-MoRSE descriptors
2078Mor26usignal 26 / unweighted3D-MoRSE descriptors
2079Mor27usignal 27 / unweighted3D-MoRSE descriptors
2080Mor28usignal 28 / unweighted3D-MoRSE descriptors
2081Mor29usignal 29 / unweighted3D-MoRSE descriptors
2082Mor30usignal 30 / unweighted3D-MoRSE descriptors
2083Mor31usignal 31 / unweighted3D-MoRSE descriptors
2084Mor32usignal 32 / unweighted3D-MoRSE descriptors
2085Mor01msignal 01 / weighted by mass3D-MoRSE descriptors
2086Mor02msignal 02 / weighted by mass3D-MoRSE descriptors
2087Mor03msignal 03 / weighted by mass3D-MoRSE descriptors
2088Mor04msignal 04 / weighted by mass3D-MoRSE descriptors
2089Mor05msignal 05 / weighted by mass3D-MoRSE descriptors
2090Mor06msignal 06 / weighted by mass3D-MoRSE descriptors
2091Mor07msignal 07 / weighted by mass3D-MoRSE descriptors
2092Mor08msignal 08 / weighted by mass3D-MoRSE descriptors
2093Mor09msignal 09 / weighted by mass3D-MoRSE descriptors
2094Mor10msignal 10 / weighted by mass3D-MoRSE descriptors
2095Mor11msignal 11 / weighted by mass3D-MoRSE descriptors
2096Mor12msignal 12 / weighted by mass3D-MoRSE descriptors
2097Mor13msignal 13 / weighted by mass3D-MoRSE descriptors
2098Mor14msignal 14 / weighted by mass3D-MoRSE descriptors
2099Mor15msignal 15 / weighted by mass3D-MoRSE descriptors
2100Mor16msignal 16 / weighted by mass3D-MoRSE descriptors
2101Mor17msignal 17 / weighted by mass3D-MoRSE descriptors
2102Mor18msignal 18 / weighted by mass3D-MoRSE descriptors
2103Mor19msignal 19 / weighted by mass3D-MoRSE descriptors
2104Mor20msignal 20 / weighted by mass3D-MoRSE descriptors
2105Mor21msignal 21 / weighted by mass3D-MoRSE descriptors
2106Mor22msignal 22 / weighted by mass3D-MoRSE descriptors
2107Mor23msignal 23 / weighted by mass3D-MoRSE descriptors
2108Mor24msignal 24 / weighted by mass3D-MoRSE descriptors
2109Mor25msignal 25 / weighted by mass3D-MoRSE descriptors
2110Mor26msignal 26 / weighted by mass3D-MoRSE descriptors
2111Mor27msignal 27 / weighted by mass3D-MoRSE descriptors
2112Mor28msignal 28 / weighted by mass3D-MoRSE descriptors
2113Mor29msignal 29 / weighted by mass3D-MoRSE descriptors
2114Mor30msignal 30 / weighted by mass3D-MoRSE descriptors
2115Mor31msignal 31 / weighted by mass3D-MoRSE descriptors
2116Mor32msignal 32 / weighted by mass3D-MoRSE descriptors
2117Mor01vsignal 01 / weighted by van der Waals volume3D-MoRSE descriptors
2118Mor02vsignal 02 / weighted by van der Waals volume3D-MoRSE descriptors
2119Mor03vsignal 03 / weighted by van der Waals volume3D-MoRSE descriptors
2120Mor04vsignal 04 / weighted by van der Waals volume3D-MoRSE descriptors
2121Mor05vsignal 05 / weighted by van der Waals volume3D-MoRSE descriptors
2122Mor06vsignal 06 / weighted by van der Waals volume3D-MoRSE descriptors
2123Mor07vsignal 07 / weighted by van der Waals volume3D-MoRSE descriptors
2124Mor08vsignal 08 / weighted by van der Waals volume3D-MoRSE descriptors
2125Mor09vsignal 09 / weighted by van der Waals volume3D-MoRSE descriptors
2126Mor10vsignal 10 / weighted by van der Waals volume3D-MoRSE descriptors
2127Mor11vsignal 11 / weighted by van der Waals volume3D-MoRSE descriptors
2128Mor12vsignal 12 / weighted by van der Waals volume3D-MoRSE descriptors
2129Mor13vsignal 13 / weighted by van der Waals volume3D-MoRSE descriptors
2130Mor14vsignal 14 / weighted by van der Waals volume3D-MoRSE descriptors
2131Mor15vsignal 15 / weighted by van der Waals volume3D-MoRSE descriptors
2132Mor16vsignal 16 / weighted by van der Waals volume3D-MoRSE descriptors
2133Mor17vsignal 17 / weighted by van der Waals volume3D-MoRSE descriptors
2134Mor18vsignal 18 / weighted by van der Waals volume3D-MoRSE descriptors
2135Mor19vsignal 19 / weighted by van der Waals volume3D-MoRSE descriptors
2136Mor20vsignal 20 / weighted by van der Waals volume3D-MoRSE descriptors
2137Mor21vsignal 21 / weighted by van der Waals volume3D-MoRSE descriptors
2138Mor22vsignal 22 / weighted by van der Waals volume3D-MoRSE descriptors
2139Mor23vsignal 23 / weighted by van der Waals volume3D-MoRSE descriptors
2140Mor24vsignal 24 / weighted by van der Waals volume3D-MoRSE descriptors
2141Mor25vsignal 25 / weighted by van der Waals volume3D-MoRSE descriptors
2142Mor26vsignal 26 / weighted by van der Waals volume3D-MoRSE descriptors
2143Mor27vsignal 27 / weighted by van der Waals volume3D-MoRSE descriptors
2144Mor28vsignal 28 / weighted by van der Waals volume3D-MoRSE descriptors
2145Mor29vsignal 29 / weighted by van der Waals volume3D-MoRSE descriptors
2146Mor30vsignal 30 / weighted by van der Waals volume3D-MoRSE descriptors
2147Mor31vsignal 31 / weighted by van der Waals volume3D-MoRSE descriptors
2148Mor32vsignal 32 / weighted by van der Waals volume3D-MoRSE descriptors
2149Mor01esignal 01 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2150Mor02esignal 02 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2151Mor03esignal 03 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2152Mor04esignal 04 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2153Mor05esignal 05 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2154Mor06esignal 06 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2155Mor07esignal 07 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2156Mor08esignal 08 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2157Mor09esignal 09 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2158Mor10esignal 10 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2159Mor11esignal 11 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2160Mor12esignal 12 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2161Mor13esignal 13 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2162Mor14esignal 14 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2163Mor15esignal 15 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2164Mor16esignal 16 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2165Mor17esignal 17 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2166Mor18esignal 18 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2167Mor19esignal 19 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2168Mor20esignal 20 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2169Mor21esignal 21 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2170Mor22esignal 22 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2171Mor23esignal 23 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2172Mor24esignal 24 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2173Mor25esignal 25 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2174Mor26esignal 26 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2175Mor27esignal 27 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2176Mor28esignal 28 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2177Mor29esignal 29 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2178Mor30esignal 30 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2179Mor31esignal 31 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2180Mor32esignal 32 / weighted by Sanderson electronegativity3D-MoRSE descriptors
2181Mor01psignal 01 / weighted by polarizability3D-MoRSE descriptors
2182Mor02psignal 02 / weighted by polarizability3D-MoRSE descriptors
2183Mor03psignal 03 / weighted by polarizability3D-MoRSE descriptors
2184Mor04psignal 04 / weighted by polarizability3D-MoRSE descriptors
2185Mor05psignal 05 / weighted by polarizability3D-MoRSE descriptors
2186Mor06psignal 06 / weighted by polarizability3D-MoRSE descriptors
2187Mor07psignal 07 / weighted by polarizability3D-MoRSE descriptors
2188Mor08psignal 08 / weighted by polarizability3D-MoRSE descriptors
2189Mor09psignal 09 / weighted by polarizability3D-MoRSE descriptors
2190Mor10psignal 10 / weighted by polarizability3D-MoRSE descriptors
2191Mor11psignal 11 / weighted by polarizability3D-MoRSE descriptors
2192Mor12psignal 12 / weighted by polarizability3D-MoRSE descriptors
2193Mor13psignal 13 / weighted by polarizability3D-MoRSE descriptors
2194Mor14psignal 14 / weighted by polarizability3D-MoRSE descriptors
2195Mor15psignal 15 / weighted by polarizability3D-MoRSE descriptors
2196Mor16psignal 16 / weighted by polarizability3D-MoRSE descriptors
2197Mor17psignal 17 / weighted by polarizability3D-MoRSE descriptors
2198Mor18psignal 18 / weighted by polarizability3D-MoRSE descriptors
2199Mor19psignal 19 / weighted by polarizability3D-MoRSE descriptors
2200Mor20psignal 20 / weighted by polarizability3D-MoRSE descriptors
2201Mor21psignal 21 / weighted by polarizability3D-MoRSE descriptors
2202Mor22psignal 22 / weighted by polarizability3D-MoRSE descriptors
2203Mor23psignal 23 / weighted by polarizability3D-MoRSE descriptors
2204Mor24psignal 24 / weighted by polarizability3D-MoRSE descriptors
2205Mor25psignal 25 / weighted by polarizability3D-MoRSE descriptors
2206Mor26psignal 26 / weighted by polarizability3D-MoRSE descriptors
2207Mor27psignal 27 / weighted by polarizability3D-MoRSE descriptors
2208Mor28psignal 28 / weighted by polarizability3D-MoRSE descriptors
2209Mor29psignal 29 / weighted by polarizability3D-MoRSE descriptors
2210Mor30psignal 30 / weighted by polarizability3D-MoRSE descriptors
2211Mor31psignal 31 / weighted by polarizability3D-MoRSE descriptors
2212Mor32psignal 32 / weighted by polarizability3D-MoRSE descriptors
2213Mor01isignal 01 / weighted by ionization potential3D-MoRSE descriptors
2214Mor02isignal 02 / weighted by ionization potential3D-MoRSE descriptors
2215Mor03isignal 03 / weighted by ionization potential3D-MoRSE descriptors
2216Mor04isignal 04 / weighted by ionization potential3D-MoRSE descriptors
2217Mor05isignal 05 / weighted by ionization potential3D-MoRSE descriptors
2218Mor06isignal 06 / weighted by ionization potential3D-MoRSE descriptors
2219Mor07isignal 07 / weighted by ionization potential3D-MoRSE descriptors
2220Mor08isignal 08 / weighted by ionization potential3D-MoRSE descriptors
2221Mor09isignal 09 / weighted by ionization potential3D-MoRSE descriptors
2222Mor10isignal 10 / weighted by ionization potential3D-MoRSE descriptors
2223Mor11isignal 11 / weighted by ionization potential3D-MoRSE descriptors
2224Mor12isignal 12 / weighted by ionization potential3D-MoRSE descriptors
2225Mor13isignal 13 / weighted by ionization potential3D-MoRSE descriptors
2226Mor14isignal 14 / weighted by ionization potential3D-MoRSE descriptors
2227Mor15isignal 15 / weighted by ionization potential3D-MoRSE descriptors
2228Mor16isignal 16 / weighted by ionization potential3D-MoRSE descriptors
2229Mor17isignal 17 / weighted by ionization potential3D-MoRSE descriptors
2230Mor18isignal 18 / weighted by ionization potential3D-MoRSE descriptors
2231Mor19isignal 19 / weighted by ionization potential3D-MoRSE descriptors
2232Mor20isignal 20 / weighted by ionization potential3D-MoRSE descriptors
2233Mor21isignal 21 / weighted by ionization potential3D-MoRSE descriptors
2234Mor22isignal 22 / weighted by ionization potential3D-MoRSE descriptors
2235Mor23isignal 23 / weighted by ionization potential3D-MoRSE descriptors
2236Mor24isignal 24 / weighted by ionization potential3D-MoRSE descriptors
2237Mor25isignal 25 / weighted by ionization potential3D-MoRSE descriptors
2238Mor26isignal 26 / weighted by ionization potential3D-MoRSE descriptors
2239Mor27isignal 27 / weighted by ionization potential3D-MoRSE descriptors
2240Mor28isignal 28 / weighted by ionization potential3D-MoRSE descriptors
2241Mor29isignal 29 / weighted by ionization potential3D-MoRSE descriptors
2242Mor30isignal 30 / weighted by ionization potential3D-MoRSE descriptors
2243Mor31isignal 31 / weighted by ionization potential3D-MoRSE descriptors
2244Mor32isignal 32 / weighted by ionization potential3D-MoRSE descriptors
2245Mor01ssignal 01 / weighted by I-state3D-MoRSE descriptors
2246Mor02ssignal 02 / weighted by I-state3D-MoRSE descriptors
2247Mor03ssignal 03 / weighted by I-state3D-MoRSE descriptors
2248Mor04ssignal 04 / weighted by I-state3D-MoRSE descriptors
2249Mor05ssignal 05 / weighted by I-state3D-MoRSE descriptors
2250Mor06ssignal 06 / weighted by I-state3D-MoRSE descriptors
2251Mor07ssignal 07 / weighted by I-state3D-MoRSE descriptors
2252Mor08ssignal 08 / weighted by I-state3D-MoRSE descriptors
2253Mor09ssignal 09 / weighted by I-state3D-MoRSE descriptors
2254Mor10ssignal 10 / weighted by I-state3D-MoRSE descriptors
2255Mor11ssignal 11 / weighted by I-state3D-MoRSE descriptors
2256Mor12ssignal 12 / weighted by I-state3D-MoRSE descriptors
2257Mor13ssignal 13 / weighted by I-state3D-MoRSE descriptors
2258Mor14ssignal 14 / weighted by I-state3D-MoRSE descriptors
2259Mor15ssignal 15 / weighted by I-state3D-MoRSE descriptors
2260Mor16ssignal 16 / weighted by I-state3D-MoRSE descriptors
2261Mor17ssignal 17 / weighted by I-state3D-MoRSE descriptors
2262Mor18ssignal 18 / weighted by I-state3D-MoRSE descriptors
2263Mor19ssignal 19 / weighted by I-state3D-MoRSE descriptors
2264Mor20ssignal 20 / weighted by I-state3D-MoRSE descriptors
2265Mor21ssignal 21 / weighted by I-state3D-MoRSE descriptors
2266Mor22ssignal 22 / weighted by I-state3D-MoRSE descriptors
2267Mor23ssignal 23 / weighted by I-state3D-MoRSE descriptors
2268Mor24ssignal 24 / weighted by I-state3D-MoRSE descriptors
2269Mor25ssignal 25 / weighted by I-state3D-MoRSE descriptors
2270Mor26ssignal 26 / weighted by I-state3D-MoRSE descriptors
2271Mor27ssignal 27 / weighted by I-state3D-MoRSE descriptors
2272Mor28ssignal 28 / weighted by I-state3D-MoRSE descriptors
2273Mor29ssignal 29 / weighted by I-state3D-MoRSE descriptors
2274Mor30ssignal 30 / weighted by I-state3D-MoRSE descriptors
2275Mor31ssignal 31 / weighted by I-state3D-MoRSE descriptors
2276Mor32ssignal 32 / weighted by I-state3D-MoRSE descriptors
2277L1u1st component size directional WHIM index / unweightedWHIM descriptors
2278L2u2nd component size directional WHIM index / unweightedWHIM descriptors
2279L3u3rd component size directional WHIM index / unweightedWHIM descriptors
2280P1u1st component shape directional WHIM index / unweightedWHIM descriptors
2281P2u2nd component shape directional WHIM index / unweightedWHIM descriptors
2282G1u1st component symmetry directional WHIM index / unweightedWHIM descriptors
2283G2u2nd component symmetry directional WHIM index / unweightedWHIM descriptors
2284G3u3rd component symmetry directional WHIM index / unweightedWHIM descriptors
2285E1u1st component accessibility directional WHIM index / unweightedWHIM descriptors
2286E2u2nd component accessibility directional WHIM index / unweightedWHIM descriptors
2287E3u3rd component accessibility directional WHIM index / unweightedWHIM descriptors
2288L1m1st component size directional WHIM index / weighted by massWHIM descriptors
2289L2m2nd component size directional WHIM index / weighted by massWHIM descriptors
2290L3m3rd component size directional WHIM index / weighted by massWHIM descriptors
2291P1m1st component shape directional WHIM index / weighted by massWHIM descriptors
2292P2m2nd component shape directional WHIM index / weighted by massWHIM descriptors
2293G1m1st component symmetry directional WHIM index / weighted by massWHIM descriptors
2294G2m2nd component symmetry directional WHIM index / weighted by massWHIM descriptors
2295G3m3rd component symmetry directional WHIM index / weighted by massWHIM descriptors
2296E1m1st component accessibility directional WHIM index / weighted by massWHIM descriptors
2297E2m2nd component accessibility directional WHIM index / weighted by massWHIM descriptors
2298E3m3rd component accessibility directional WHIM index / weighted by massWHIM descriptors
2299L1v1st component size directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2300L2v2nd component size directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2301L3v3rd component size directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2302P1v1st component shape directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2303P2v2nd component shape directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2304G1v1st component symmetry directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2305G2v2nd component symmetry directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2306G3v3rd component symmetry directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2307E1v1st component accessibility directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2308E2v2nd component accessibility directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2309E3v3rd component accessibility directional WHIM index / weighted by van der Waals volumeWHIM descriptors
2310L1e1st component size directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2311L2e2nd component size directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2312L3e3rd component size directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2313P1e1st component shape directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2314P2e2nd component shape directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2315G1e1st component symmetry directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2316G2e2nd component symmetry directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2317G3e3rd component symmetry directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2318E1e1st component accessibility directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2319E2e2nd component accessibility directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2320E3e3rd component accessibility directional WHIM index / weighted by Sanderson electronegativityWHIM descriptors
2321L1p1st component size directional WHIM index / weighted by polarizabilityWHIM descriptors
2322L2p2nd component size directional WHIM index / weighted by polarizabilityWHIM descriptors
2323L3p3rd component size directional WHIM index / weighted by polarizabilityWHIM descriptors
2324P1p1st component shape directional WHIM index / weighted by polarizabilityWHIM descriptors
2325P2p2nd component shape directional WHIM index / weighted by polarizabilityWHIM descriptors
2326G1p1st component symmetry directional WHIM index / weighted by polarizabilityWHIM descriptors
2327G2p2nd component symmetry directional WHIM index / weighted by polarizabilityWHIM descriptors
2328G3p3rd component symmetry directional WHIM index / weighted by polarizabilityWHIM descriptors
2329E1p1st component accessibility directional WHIM index / weighted by polarizabilityWHIM descriptors
2330E2p2nd component accessibility directional WHIM index / weighted by polarizabilityWHIM descriptors
2331E3p3rd component accessibility directional WHIM index / weighted by polarizabilityWHIM descriptors
2332L1i1st component size directional WHIM index / weighted by ionization potentialWHIM descriptors
2333L2i2nd component size directional WHIM index / weighted by ionization potentialWHIM descriptors
2334L3i3rd component size directional WHIM index / weighted by ionization potentialWHIM descriptors
2335P1i1st component shape directional WHIM index / weighted by ionization potentialWHIM descriptors
2336P2i2nd component shape directional WHIM index / weighted by ionization potentialWHIM descriptors
2337G1i1st component symmetry directional WHIM index / weighted by ionization potentialWHIM descriptors
2338G2i2nd component symmetry directional WHIM index / weighted by ionization potentialWHIM descriptors
2339G3i3rd component symmetry directional WHIM index / weighted by ionization potentialWHIM descriptors
2340E1i1st component accessibility directional WHIM index / weighted by ionization potentialWHIM descriptors
2341E2i2nd component accessibility directional WHIM index / weighted by ionization potentialWHIM descriptors
2342E3i3rd component accessibility directional WHIM index / weighted by ionization potentialWHIM descriptors
2343L1s1st component size directional WHIM index / weighted by I-stateWHIM descriptors
2344L2s2nd component size directional WHIM index / weighted by I-stateWHIM descriptors
2345L3s3rd component size directional WHIM index / weighted by I-stateWHIM descriptors
2346P1s1st component shape directional WHIM index / weighted by I-stateWHIM descriptors
2347P2s2nd component shape directional WHIM index / weighted by I-stateWHIM descriptors
2348G1s1st component symmetry directional WHIM index / weighted by I-stateWHIM descriptors
2349G2s2nd component symmetry directional WHIM index / weighted by I-stateWHIM descriptors
2350G3s3rd component symmetry directional WHIM index / weighted by I-stateWHIM descriptors
2351E1s1st component accessibility directional WHIM index / weighted by I-stateWHIM descriptors
2352E2s2nd component accessibility directional WHIM index / weighted by I-stateWHIM descriptors
2353E3s3rd component accessibility directional WHIM index / weighted by I-stateWHIM descriptors
2354TuT total size index / unweightedWHIM descriptors
2355TmT total size index / weighted by massWHIM descriptors
2356TvT total size index / weighted by van der Waals volumeWHIM descriptors
2357TeT total size index / weighted by Sanderson electronegativityWHIM descriptors
2358TpT total size index / weighted by polarizabilityWHIM descriptors
2359TiT total size index / weighted by ionization potentialWHIM descriptors
2360TsT total size index / weighted by I-stateWHIM descriptors
2361AuA total size index / unweightedWHIM descriptors
2362AmA total size index / weighted by massWHIM descriptors
2363AvA total size index / weighted by van der Waals volumeWHIM descriptors
2364AeA total size index / weighted by Sanderson electronegativityWHIM descriptors
2365ApA total size index / weighted by polarizabilityWHIM descriptors
2366AiA total size index / weighted by ionization potentialWHIM descriptors
2367AsA total size index / weighted by I-stateWHIM descriptors
2368Gutotal symmetry index / unweightedWHIM descriptors
2369Gmtotal symmetry index / weighted by massWHIM descriptors
2370KuK global shape index / unweightedWHIM descriptors
2371KmK global shape index / weighted by massWHIM descriptors
2372KvK global shape index / weighted by van der Waals volumeWHIM descriptors
2373KeK global shape index / weighted by Sanderson electronegativityWHIM descriptors
2374KpK global shape index / weighted by polarizabilityWHIM descriptors
2375KiK global shape index / weighted by ionization potentialWHIM descriptors
2376KsK global shape index / weighted by I-stateWHIM descriptors
2377DuD total accessibility index / unweightedWHIM descriptors
2378DmD total accessibility index / weighted by massWHIM descriptors
2379DvD total accessibility index / weighted by van der Waals volumeWHIM descriptors
2380DeD total accessibility index / weighted by Sanderson electronegativityWHIM descriptors
2381DpD total accessibility index / weighted by polarizabilityWHIM descriptors
2382DiD total accessibility index / weighted by ionization potentialWHIM descriptors
2383DsD total accessibility index / weighted by I-stateWHIM descriptors
2384VuV total size index / unweightedWHIM descriptors
2385VmV total size index / weighted by massWHIM descriptors
2386VvV total size index / weighted by van der Waals volumeWHIM descriptors
2387VeV total size index / weighted by Sanderson electronegativityWHIM descriptors
2388VpV total size index / weighted by polarizabilityWHIM descriptors
2389ViV total size index / weighted by ionization potentialWHIM descriptors
2390VsV total size index / weighted by I-stateWHIM descriptors
2391ITHtotal information content on the leverage equalityGETAWAY descriptors
2392ISHstandardized information content on the leverage equalityGETAWAY descriptors
2393HICmean information content on the leverage magnitudeGETAWAY descriptors
2394HGMgeometric mean on the leverage magnitudeGETAWAY descriptors
2395H0uH autocorrelation of lag 0 / unweightedGETAWAY descriptors
2396H1uH autocorrelation of lag 1 / unweightedGETAWAY descriptors
2397H2uH autocorrelation of lag 2 / unweightedGETAWAY descriptors
2398H3uH autocorrelation of lag 3 / unweightedGETAWAY descriptors
2399H4uH autocorrelation of lag 4 / unweightedGETAWAY descriptors
2400H5uH autocorrelation of lag 5 / unweightedGETAWAY descriptors
2401H6uH autocorrelation of lag 6 / unweightedGETAWAY descriptors
2402H7uH autocorrelation of lag 7 / unweightedGETAWAY descriptors
2403H8uH autocorrelation of lag 8 / unweightedGETAWAY descriptors
2404HTuH total index / unweightedGETAWAY descriptors
2405HATS0uleverage-weighted autocorrelation of lag 0 / unweightedGETAWAY descriptors
2406HATS1uleverage-weighted autocorrelation of lag 1 / unweightedGETAWAY descriptors
2407HATS2uleverage-weighted autocorrelation of lag 2 / unweightedGETAWAY descriptors
2408HATS3uleverage-weighted autocorrelation of lag 3 / unweightedGETAWAY descriptors
2409HATS4uleverage-weighted autocorrelation of lag 4 / unweightedGETAWAY descriptors
2410HATS5uleverage-weighted autocorrelation of lag 5 / unweightedGETAWAY descriptors
2411HATS6uleverage-weighted autocorrelation of lag 6 / unweightedGETAWAY descriptors
2412HATS7uleverage-weighted autocorrelation of lag 7 / unweightedGETAWAY descriptors
2413HATS8uleverage-weighted autocorrelation of lag 8 / unweightedGETAWAY descriptors
2414HATSuleverage-weighted total index / unweightedGETAWAY descriptors
2415H0mH autocorrelation of lag 0 / weighted by massGETAWAY descriptors
2416H1mH autocorrelation of lag 1 / weighted by massGETAWAY descriptors
2417H2mH autocorrelation of lag 2 / weighted by massGETAWAY descriptors
2418H3mH autocorrelation of lag 3 / weighted by massGETAWAY descriptors
2419H4mH autocorrelation of lag 4 / weighted by massGETAWAY descriptors
2420H5mH autocorrelation of lag 5 / weighted by massGETAWAY descriptors
2421H6mH autocorrelation of lag 6 / weighted by massGETAWAY descriptors
2422H7mH autocorrelation of lag 7 / weighted by massGETAWAY descriptors
2423H8mH autocorrelation of lag 8 / weighted by massGETAWAY descriptors
2424HTmH total index / weighted by massGETAWAY descriptors
2425HATS0mleverage-weighted autocorrelation of lag 0 / weighted by massGETAWAY descriptors
2426HATS1mleverage-weighted autocorrelation of lag 1 / weighted by massGETAWAY descriptors
2427HATS2mleverage-weighted autocorrelation of lag 2 / weighted by massGETAWAY descriptors
2428HATS3mleverage-weighted autocorrelation of lag 3 / weighted by massGETAWAY descriptors
2429HATS4mleverage-weighted autocorrelation of lag 4 / weighted by massGETAWAY descriptors
2430HATS5mleverage-weighted autocorrelation of lag 5 / weighted by massGETAWAY descriptors
2431HATS6mleverage-weighted autocorrelation of lag 6 / weighted by massGETAWAY descriptors
2432HATS7mleverage-weighted autocorrelation of lag 7 / weighted by massGETAWAY descriptors
2433HATS8mleverage-weighted autocorrelation of lag 8 / weighted by massGETAWAY descriptors
2434HATSmleverage-weighted total index / weighted by massGETAWAY descriptors
2435H0vH autocorrelation of lag 0 / weighted by van der Waals volumeGETAWAY descriptors
2436H1vH autocorrelation of lag 1 / weighted by van der Waals volumeGETAWAY descriptors
2437H2vH autocorrelation of lag 2 / weighted by van der Waals volumeGETAWAY descriptors
2438H3vH autocorrelation of lag 3 / weighted by van der Waals volumeGETAWAY descriptors
2439H4vH autocorrelation of lag 4 / weighted by van der Waals volumeGETAWAY descriptors
2440H5vH autocorrelation of lag 5 / weighted by van der Waals volumeGETAWAY descriptors
2441H6vH autocorrelation of lag 6 / weighted by van der Waals volumeGETAWAY descriptors
2442H7vH autocorrelation of lag 7 / weighted by van der Waals volumeGETAWAY descriptors
2443H8vH autocorrelation of lag 8 / weighted by van der Waals volumeGETAWAY descriptors
2444HTvH total index / weighted by van der Waals volumeGETAWAY descriptors
2445HATS0vleverage-weighted autocorrelation of lag 0 / weighted by van der Waals volumeGETAWAY descriptors
2446HATS1vleverage-weighted autocorrelation of lag 1 / weighted by van der Waals volumeGETAWAY descriptors
2447HATS2vleverage-weighted autocorrelation of lag 2 / weighted by van der Waals volumeGETAWAY descriptors
2448HATS3vleverage-weighted autocorrelation of lag 3 / weighted by van der Waals volumeGETAWAY descriptors
2449HATS4vleverage-weighted autocorrelation of lag 4 / weighted by van der Waals volumeGETAWAY descriptors
2450HATS5vleverage-weighted autocorrelation of lag 5 / weighted by van der Waals volumeGETAWAY descriptors
2451HATS6vleverage-weighted autocorrelation of lag 6 / weighted by van der Waals volumeGETAWAY descriptors
2452HATS7vleverage-weighted autocorrelation of lag 7 / weighted by van der Waals volumeGETAWAY descriptors
2453HATS8vleverage-weighted autocorrelation of lag 8 / weighted by van der Waals volumeGETAWAY descriptors
2454HATSvleverage-weighted total index / weighted by van der Waals volumeGETAWAY descriptors
2455H0eH autocorrelation of lag 0 / weighted by Sanderson electronegativityGETAWAY descriptors
2456H1eH autocorrelation of lag 1 / weighted by Sanderson electronegativityGETAWAY descriptors
2457H2eH autocorrelation of lag 2 / weighted by Sanderson electronegativityGETAWAY descriptors
2458H3eH autocorrelation of lag 3 / weighted by Sanderson electronegativityGETAWAY descriptors
2459H4eH autocorrelation of lag 4 / weighted by Sanderson electronegativityGETAWAY descriptors
2460H5eH autocorrelation of lag 5 / weighted by Sanderson electronegativityGETAWAY descriptors
2461H6eH autocorrelation of lag 6 / weighted by Sanderson electronegativityGETAWAY descriptors
2462H7eH autocorrelation of lag 7 / weighted by Sanderson electronegativityGETAWAY descriptors
2463H8eH autocorrelation of lag 8 / weighted by Sanderson electronegativityGETAWAY descriptors
2464HTeH total index / weighted by Sanderson electronegativityGETAWAY descriptors
2465HATS0eleverage-weighted autocorrelation of lag 0 / weighted by Sanderson electronegativityGETAWAY descriptors
2466HATS1eleverage-weighted autocorrelation of lag 1 / weighted by Sanderson electronegativityGETAWAY descriptors
2467HATS2eleverage-weighted autocorrelation of lag 2 / weighted by Sanderson electronegativityGETAWAY descriptors
2468HATS3eleverage-weighted autocorrelation of lag 3 / weighted by Sanderson electronegativityGETAWAY descriptors
2469HATS4eleverage-weighted autocorrelation of lag 4 / weighted by Sanderson electronegativityGETAWAY descriptors
2470HATS5eleverage-weighted autocorrelation of lag 5 / weighted by Sanderson electronegativityGETAWAY descriptors
2471HATS6eleverage-weighted autocorrelation of lag 6 / weighted by Sanderson electronegativityGETAWAY descriptors
2472HATS7eleverage-weighted autocorrelation of lag 7 / weighted by Sanderson electronegativityGETAWAY descriptors
2473HATS8eleverage-weighted autocorrelation of lag 8 / weighted by Sanderson electronegativityGETAWAY descriptors
2474HATSeleverage-weighted total index / weighted by Sanderson electronegativityGETAWAY descriptors
2475H0pH autocorrelation of lag 0 / weighted by polarizabilityGETAWAY descriptors
2476H1pH autocorrelation of lag 1 / weighted by polarizabilityGETAWAY descriptors
2477H2pH autocorrelation of lag 2 / weighted by polarizabilityGETAWAY descriptors
2478H3pH autocorrelation of lag 3 / weighted by polarizabilityGETAWAY descriptors
2479H4pH autocorrelation of lag 4 / weighted by polarizabilityGETAWAY descriptors
2480H5pH autocorrelation of lag 5 / weighted by polarizabilityGETAWAY descriptors
2481H6pH autocorrelation of lag 6 / weighted by polarizabilityGETAWAY descriptors
2482H7pH autocorrelation of lag 7 / weighted by polarizabilityGETAWAY descriptors
2483H8pH autocorrelation of lag 8 / weighted by polarizabilityGETAWAY descriptors
2484HTpH total index / weighted by polarizabilityGETAWAY descriptors
2485HATS0pleverage-weighted autocorrelation of lag 0 / weighted by polarizabilityGETAWAY descriptors
2486HATS1pleverage-weighted autocorrelation of lag 1 / weighted by polarizabilityGETAWAY descriptors
2487HATS2pleverage-weighted autocorrelation of lag 2 / weighted by polarizabilityGETAWAY descriptors
2488HATS3pleverage-weighted autocorrelation of lag 3 / weighted by polarizabilityGETAWAY descriptors
2489HATS4pleverage-weighted autocorrelation of lag 4 / weighted by polarizabilityGETAWAY descriptors
2490HATS5pleverage-weighted autocorrelation of lag 5 / weighted by polarizabilityGETAWAY descriptors
2491HATS6pleverage-weighted autocorrelation of lag 6 / weighted by polarizabilityGETAWAY descriptors
2492HATS7pleverage-weighted autocorrelation of lag 7 / weighted by polarizabilityGETAWAY descriptors
2493HATS8pleverage-weighted autocorrelation of lag 8 / weighted by polarizabilityGETAWAY descriptors
2494HATSpleverage-weighted total index / weighted by polarizabilityGETAWAY descriptors
2495H0iH autocorrelation of lag 0 / weighted by ionization potentialGETAWAY descriptors
2496H1iH autocorrelation of lag 1 / weighted by ionization potentialGETAWAY descriptors
2497H2iH autocorrelation of lag 2 / weighted by ionization potentialGETAWAY descriptors
2498H3iH autocorrelation of lag 3 / weighted by ionization potentialGETAWAY descriptors
2499H4iH autocorrelation of lag 4 / weighted by ionization potentialGETAWAY descriptors
2500H5iH autocorrelation of lag 5 / weighted by ionization potentialGETAWAY descriptors
2501H6iH autocorrelation of lag 6 / weighted by ionization potentialGETAWAY descriptors
2502H7iH autocorrelation of lag 7 / weighted by ionization potentialGETAWAY descriptors
2503H8iH autocorrelation of lag 8 / weighted by ionization potentialGETAWAY descriptors
2504HTiH total index / weighted by ionization potentialGETAWAY descriptors
2505HATS0ileverage-weighted autocorrelation of lag 0 / weighted by ionization potentialGETAWAY descriptors
2506HATS1ileverage-weighted autocorrelation of lag 1 / weighted by ionization potentialGETAWAY descriptors
2507HATS2ileverage-weighted autocorrelation of lag 2 / weighted by ionization potentialGETAWAY descriptors
2508HATS3ileverage-weighted autocorrelation of lag 3 / weighted by ionization potentialGETAWAY descriptors
2509HATS4ileverage-weighted autocorrelation of lag 4 / weighted by ionization potentialGETAWAY descriptors
2510HATS5ileverage-weighted autocorrelation of lag 5 / weighted by ionization potentialGETAWAY descriptors
2511HATS6ileverage-weighted autocorrelation of lag 6 / weighted by ionization potentialGETAWAY descriptors
2512HATS7ileverage-weighted autocorrelation of lag 7 / weighted by ionization potentialGETAWAY descriptors
2513HATS8ileverage-weighted autocorrelation of lag 8 / weighted by ionization potentialGETAWAY descriptors
2514HATSileverage-weighted total index / weighted by ionization potentialGETAWAY descriptors
2515H0sH autocorrelation of lag 0 / weighted by I-stateGETAWAY descriptors
2516H1sH autocorrelation of lag 1 / weighted by I-stateGETAWAY descriptors
2517H2sH autocorrelation of lag 2 / weighted by I-stateGETAWAY descriptors
2518H3sH autocorrelation of lag 3 / weighted by I-stateGETAWAY descriptors
2519H4sH autocorrelation of lag 4 / weighted by I-stateGETAWAY descriptors
2520H5sH autocorrelation of lag 5 / weighted by I-stateGETAWAY descriptors
2521H6sH autocorrelation of lag 6 / weighted by I-stateGETAWAY descriptors
2522H7sH autocorrelation of lag 7 / weighted by I-stateGETAWAY descriptors
2523H8sH autocorrelation of lag 8 / weighted by I-stateGETAWAY descriptors
2524HTsH total index / weighted by I-stateGETAWAY descriptors
2525HATS0sleverage-weighted autocorrelation of lag 0 / weighted by I-stateGETAWAY descriptors
2526HATS1sleverage-weighted autocorrelation of lag 1 / weighted by I-stateGETAWAY descriptors
2527HATS2sleverage-weighted autocorrelation of lag 2 / weighted by I-stateGETAWAY descriptors
2528HATS3sleverage-weighted autocorrelation of lag 3 / weighted by I-stateGETAWAY descriptors
2529HATS4sleverage-weighted autocorrelation of lag 4 / weighted by I-stateGETAWAY descriptors
2530HATS5sleverage-weighted autocorrelation of lag 5 / weighted by I-stateGETAWAY descriptors
2531HATS6sleverage-weighted autocorrelation of lag 6 / weighted by I-stateGETAWAY descriptors
2532HATS7sleverage-weighted autocorrelation of lag 7 / weighted by I-stateGETAWAY descriptors
2533HATS8sleverage-weighted autocorrelation of lag 8 / weighted by I-stateGETAWAY descriptors
2534HATSsleverage-weighted total index / weighted by I-stateGETAWAY descriptors
2535RCONRandic-type R matrix connectivityGETAWAY descriptors
2536RARSR matrix average row sumGETAWAY descriptors
2537REIGfirst eigenvalue of the R matrixGETAWAY descriptors
2538R1uR autocorrelation of lag 1 / unweightedGETAWAY descriptors
2539R2uR autocorrelation of lag 2 / unweightedGETAWAY descriptors
2540R3uR autocorrelation of lag 3 / unweightedGETAWAY descriptors
2541R4uR autocorrelation of lag 4 / unweightedGETAWAY descriptors
2542R5uR autocorrelation of lag 5 / unweightedGETAWAY descriptors
2543R6uR autocorrelation of lag 6 / unweightedGETAWAY descriptors
2544R7uR autocorrelation of lag 7 / unweightedGETAWAY descriptors
2545R8uR autocorrelation of lag 8 / unweightedGETAWAY descriptors
2546RTuR total index / unweightedGETAWAY descriptors
2547R1u+R maximal autocorrelation of lag 1 / unweightedGETAWAY descriptors
2548R2u+R maximal autocorrelation of lag 2 / unweightedGETAWAY descriptors
2549R3u+R maximal autocorrelation of lag 3 / unweightedGETAWAY descriptors
2550R4u+R maximal autocorrelation of lag 4 / unweightedGETAWAY descriptors
2551R5u+R maximal autocorrelation of lag 5 / unweightedGETAWAY descriptors
2552R6u+R maximal autocorrelation of lag 6 / unweightedGETAWAY descriptors
2553R7u+R maximal autocorrelation of lag 7 / unweightedGETAWAY descriptors
2554R8u+R maximal autocorrelation of lag 8 / unweightedGETAWAY descriptors
2555RTu+R maximal index / unweightedGETAWAY descriptors
2556R1mR autocorrelation of lag 1 / weighted by massGETAWAY descriptors
2557R2mR autocorrelation of lag 2 / weighted by massGETAWAY descriptors
2558R3mR autocorrelation of lag 3 / weighted by massGETAWAY descriptors
2559R4mR autocorrelation of lag 4 / weighted by massGETAWAY descriptors
2560R5mR autocorrelation of lag 5 / weighted by massGETAWAY descriptors
2561R6mR autocorrelation of lag 6 / weighted by massGETAWAY descriptors
2562R7mR autocorrelation of lag 7 / weighted by massGETAWAY descriptors
2563R8mR autocorrelation of lag 8 / weighted by massGETAWAY descriptors
2564RTmR total index / weighted by massGETAWAY descriptors
2565R1m+R maximal autocorrelation of lag 1 / weighted by massGETAWAY descriptors
2566R2m+R maximal autocorrelation of lag 2 / weighted by massGETAWAY descriptors
2567R3m+R maximal autocorrelation of lag 3 / weighted by massGETAWAY descriptors
2568R4m+R maximal autocorrelation of lag 4 / weighted by massGETAWAY descriptors
2569R5m+R maximal autocorrelation of lag 5 / weighted by massGETAWAY descriptors
2570R6m+R maximal autocorrelation of lag 6 / weighted by massGETAWAY descriptors
2571R7m+R maximal autocorrelation of lag 7 / weighted by massGETAWAY descriptors
2572R8m+R maximal autocorrelation of lag 8 / weighted by massGETAWAY descriptors
2573RTm+R maximal index / weighted by massGETAWAY descriptors
2574R1vR autocorrelation of lag 1 / weighted by van der Waals volumeGETAWAY descriptors
2575R2vR autocorrelation of lag 2 / weighted by van der Waals volumeGETAWAY descriptors
2576R3vR autocorrelation of lag 3 / weighted by van der Waals volumeGETAWAY descriptors
2577R4vR autocorrelation of lag 4 / weighted by van der Waals volumeGETAWAY descriptors
2578R5vR autocorrelation of lag 5 / weighted by van der Waals volumeGETAWAY descriptors
2579R6vR autocorrelation of lag 6 / weighted by van der Waals volumeGETAWAY descriptors
2580R7vR autocorrelation of lag 7 / weighted by van der Waals volumeGETAWAY descriptors
2581R8vR autocorrelation of lag 8 / weighted by van der Waals volumeGETAWAY descriptors
2582RTvR total index / weighted by van der Waals volumeGETAWAY descriptors
2583R1v+R maximal autocorrelation of lag 1 / weighted by van der Waals volumeGETAWAY descriptors
2584R2v+R maximal autocorrelation of lag 2 / weighted by van der Waals volumeGETAWAY descriptors
2585R3v+R maximal autocorrelation of lag 3 / weighted by van der Waals volumeGETAWAY descriptors
2586R4v+R maximal autocorrelation of lag 4 / weighted by van der Waals volumeGETAWAY descriptors
2587R5v+R maximal autocorrelation of lag 5 / weighted by van der Waals volumeGETAWAY descriptors
2588R6v+R maximal autocorrelation of lag 6 / weighted by van der Waals volumeGETAWAY descriptors
2589R7v+R maximal autocorrelation of lag 7 / weighted by van der Waals volumeGETAWAY descriptors
2590R8v+R maximal autocorrelation of lag 8 / weighted by van der Waals volumeGETAWAY descriptors
2591RTv+R maximal index / weighted by van der Waals volumeGETAWAY descriptors
2592R1eR autocorrelation of lag 1 / weighted by Sanderson electronegativityGETAWAY descriptors
2593R2eR autocorrelation of lag 2 / weighted by Sanderson electronegativityGETAWAY descriptors
2594R3eR autocorrelation of lag 3 / weighted by Sanderson electronegativityGETAWAY descriptors
2595R4eR autocorrelation of lag 4 / weighted by Sanderson electronegativityGETAWAY descriptors
2596R5eR autocorrelation of lag 5 / weighted by Sanderson electronegativityGETAWAY descriptors
2597R6eR autocorrelation of lag 6 / weighted by Sanderson electronegativityGETAWAY descriptors
2598R7eR autocorrelation of lag 7 / weighted by Sanderson electronegativityGETAWAY descriptors
2599R8eR autocorrelation of lag 8 / weighted by Sanderson electronegativityGETAWAY descriptors
2600RTeR total index / weighted by Sanderson electronegativityGETAWAY descriptors
2601R1e+R maximal autocorrelation of lag 1 / weighted by Sanderson electronegativityGETAWAY descriptors
2602R2e+R maximal autocorrelation of lag 2 / weighted by Sanderson electronegativityGETAWAY descriptors
2603R3e+R maximal autocorrelation of lag 3 / weighted by Sanderson electronegativityGETAWAY descriptors
2604R4e+R maximal autocorrelation of lag 4 / weighted by Sanderson electronegativityGETAWAY descriptors
2605R5e+R maximal autocorrelation of lag 5 / weighted by Sanderson electronegativityGETAWAY descriptors
2606R6e+R maximal autocorrelation of lag 6 / weighted by Sanderson electronegativityGETAWAY descriptors
2607R7e+R maximal autocorrelation of lag 7 / weighted by Sanderson electronegativityGETAWAY descriptors
2608R8e+R maximal autocorrelation of lag 8 / weighted by Sanderson electronegativityGETAWAY descriptors
2609RTe+R maximal index / weighted by Sanderson electronegativityGETAWAY descriptors
2610R1pR autocorrelation of lag 1 / weighted by polarizabilityGETAWAY descriptors
2611R2pR autocorrelation of lag 2 / weighted by polarizabilityGETAWAY descriptors
2612R3pR autocorrelation of lag 3 / weighted by polarizabilityGETAWAY descriptors
2613R4pR autocorrelation of lag 4 / weighted by polarizabilityGETAWAY descriptors
2614R5pR autocorrelation of lag 5 / weighted by polarizabilityGETAWAY descriptors
2615R6pR autocorrelation of lag 6 / weighted by polarizabilityGETAWAY descriptors
2616R7pR autocorrelation of lag 7 / weighted by polarizabilityGETAWAY descriptors
2617R8pR autocorrelation of lag 8 / weighted by polarizabilityGETAWAY descriptors
2618RTpR total index / weighted by polarizabilityGETAWAY descriptors
2619R1p+R maximal autocorrelation of lag 1 / weighted by polarizabilityGETAWAY descriptors
2620R2p+R maximal autocorrelation of lag 2 / weighted by polarizabilityGETAWAY descriptors
2621R3p+R maximal autocorrelation of lag 3 / weighted by polarizabilityGETAWAY descriptors
2622R4p+R maximal autocorrelation of lag 4 / weighted by polarizabilityGETAWAY descriptors
2623R5p+R maximal autocorrelation of lag 5 / weighted by polarizabilityGETAWAY descriptors
2624R6p+R maximal autocorrelation of lag 6 / weighted by polarizabilityGETAWAY descriptors
2625R7p+R maximal autocorrelation of lag 7 / weighted by polarizabilityGETAWAY descriptors
2626R8p+R maximal autocorrelation of lag 8 / weighted by polarizabilityGETAWAY descriptors
2627RTp+R maximal index / weighted by polarizabilityGETAWAY descriptors
2628R1iR autocorrelation of lag 1 / weighted by ionization potentialGETAWAY descriptors
2629R2iR autocorrelation of lag 2 / weighted by ionization potentialGETAWAY descriptors
2630R3iR autocorrelation of lag 3 / weighted by ionization potentialGETAWAY descriptors
2631R4iR autocorrelation of lag 4 / weighted by ionization potentialGETAWAY descriptors
2632R5iR autocorrelation of lag 5 / weighted by ionization potentialGETAWAY descriptors
2633R6iR autocorrelation of lag 6 / weighted by ionization potentialGETAWAY descriptors
2634R7iR autocorrelation of lag 7 / weighted by ionization potentialGETAWAY descriptors
2635R8iR autocorrelation of lag 8 / weighted by ionization potentialGETAWAY descriptors
2636RTiR total index / weighted by ionization potentialGETAWAY descriptors
2637R1i+R maximal autocorrelation of lag 1 / weighted by ionization potentialGETAWAY descriptors
2638R2i+R maximal autocorrelation of lag 2 / weighted by ionization potentialGETAWAY descriptors
2639R3i+R maximal autocorrelation of lag 3 / weighted by ionization potentialGETAWAY descriptors
2640R4i+R maximal autocorrelation of lag 4 / weighted by ionization potentialGETAWAY descriptors
2641R5i+R maximal autocorrelation of lag 5 / weighted by ionization potentialGETAWAY descriptors
2642R6i+R maximal autocorrelation of lag 6 / weighted by ionization potentialGETAWAY descriptors
2643R7i+R maximal autocorrelation of lag 7 / weighted by ionization potentialGETAWAY descriptors
2644R8i+R maximal autocorrelation of lag 8 / weighted by ionization potentialGETAWAY descriptors
2645RTi+R maximal index / weighted by ionization potentialGETAWAY descriptors
2646R1sR autocorrelation of lag 1 / weighted by I-stateGETAWAY descriptors
2647R2sR autocorrelation of lag 2 / weighted by I-stateGETAWAY descriptors
2648R3sR autocorrelation of lag 3 / weighted by I-stateGETAWAY descriptors
2649R4sR autocorrelation of lag 4 / weighted by I-stateGETAWAY descriptors
2650R5sR autocorrelation of lag 5 / weighted by I-stateGETAWAY descriptors
2651R6sR autocorrelation of lag 6 / weighted by I-stateGETAWAY descriptors
2652R7sR autocorrelation of lag 7 / weighted by I-stateGETAWAY descriptors
2653R8sR autocorrelation of lag 8 / weighted by I-stateGETAWAY descriptors
2654RTsR total index / weighted by I-stateGETAWAY descriptors
2655R1s+R maximal autocorrelation of lag 1 / weighted by I-stateGETAWAY descriptors
2656R2s+R maximal autocorrelation of lag 2 / weighted by I-stateGETAWAY descriptors
2657R3s+R maximal autocorrelation of lag 3 / weighted by I-stateGETAWAY descriptors
2658R4s+R maximal autocorrelation of lag 4 / weighted by I-stateGETAWAY descriptors
2659R5s+R maximal autocorrelation of lag 5 / weighted by I-stateGETAWAY descriptors
2660R6s+R maximal autocorrelation of lag 6 / weighted by I-stateGETAWAY descriptors
2661R7s+R maximal autocorrelation of lag 7 / weighted by I-stateGETAWAY descriptors
2662R8s+R maximal autocorrelation of lag 8 / weighted by I-stateGETAWAY descriptors
2663RTs+R maximal index / weighted by I-stateGETAWAY descriptors
2664DP01molecular profile no. 1Randic molecular profiles
2665DP02molecular profile no. 2Randic molecular profiles
2666DP03molecular profile no. 3Randic molecular profiles
2667DP04molecular profile no. 4Randic molecular profiles
2668DP05molecular profile no. 5Randic molecular profiles
2669DP06molecular profile no. 6Randic molecular profiles
2670DP07molecular profile no. 7Randic molecular profiles
2671DP08molecular profile no. 8Randic molecular profiles
2672DP09molecular profile no. 9Randic molecular profiles
2673DP10molecular profile no. 10Randic molecular profiles
2674DP11molecular profile no. 11Randic molecular profiles
2675DP12molecular profile no. 12Randic molecular profiles
2676DP13molecular profile no. 13Randic molecular profiles
2677DP14molecular profile no. 14Randic molecular profiles
2678DP15molecular profile no. 15Randic molecular profiles
2679DP16molecular profile no. 16Randic molecular profiles
2680DP17molecular profile no. 17Randic molecular profiles
2681DP18molecular profile no. 18Randic molecular profiles
2682DP19molecular profile no. 19Randic molecular profiles
2683DP20molecular profile no. 20Randic molecular profiles
2684SP01shape profile no. 1Randic molecular profiles
2685SP02shape profile no. 2Randic molecular profiles
2686SP03shape profile no. 3Randic molecular profiles
2687SP04shape profile no. 4Randic molecular profiles
2688SP05shape profile no. 5Randic molecular profiles
2689SP06shape profile no. 6Randic molecular profiles
2690SP07shape profile no. 7Randic molecular profiles
2691SP08shape profile no. 8Randic molecular profiles
2692SP09shape profile no. 9Randic molecular profiles
2693SP10shape profile no. 10Randic molecular profiles
2694SP11shape profile no. 11Randic molecular profiles
2695SP12shape profile no. 12Randic molecular profiles
2696SP13shape profile no. 13Randic molecular profiles
2697SP14shape profile no. 14Randic molecular profiles
2698SP15shape profile no. 15Randic molecular profiles
2699SP16shape profile no. 16Randic molecular profiles
2700SP17shape profile no. 17Randic molecular profiles
2701SP18shape profile no. 18Randic molecular profiles
2702SP19shape profile no. 19Randic molecular profiles
2703SP20shape profile no. 20Randic molecular profiles
2704SHP2average shape profile index of order 2Randic molecular profiles
2705nCpnumber of terminal primary C(sp3)Functional group counts
2706nCsnumber of total secondary C(sp3)Functional group counts
2707nCtnumber of total tertiary C(sp3)Functional group counts
2708nCqnumber of total quaternary C(sp3)Functional group counts
2709nCrsnumber of ring secondary C(sp3)Functional group counts
2710nCrtnumber of ring tertiary C(sp3)Functional group counts
2711nCrqnumber of ring quaternary C(sp3)Functional group counts
2712nCarnumber of aromatic C(sp2)Functional group counts
2713nCbHnumber of unsubstituted benzene C(sp2)Functional group counts
2714nCb-number of substituted benzene C(sp2)Functional group counts
2715nCconjnumber of non-aromatic conjugated C(sp2)Functional group counts
2716nR=Cpnumber of terminal primary C(sp2)Functional group counts
2717nR=Csnumber of aliphatic secondary C(sp2)Functional group counts
2718nR=Ctnumber of aliphatic tertiary C(sp2)Functional group counts
2719n=C=number of allenes groupsFunctional group counts
2720nR#CH/Xnumber of terminal C(sp)Functional group counts
2721nR#C-number of non-terminal C(sp)Functional group counts
2722nROCNnumber of cyanates (aliphatic)Functional group counts
2723nArOCNnumber of cyanates (aromatic)Functional group counts
2724nRNCOnumber of isocyanates (aliphatic)Functional group counts
2725nArNCOnumber of isocyanates (aromatic)Functional group counts
2726nRSCNnumber of thiocyanates (aliphatic)Functional group counts
2727nArSCNnumber of thiocyanates (aromatic)Functional group counts
2728nRNCSnumber of isothiocyanates (aliphatic)Functional group counts
2729nArNCSnumber of isothiocyanates (aromatic)Functional group counts
2730nRCOOHnumber of carboxylic acids (aliphatic)Functional group counts
2731nArCOOHnumber of carboxylic acids (aromatic)Functional group counts
2732nRCOORnumber of esters (aliphatic)Functional group counts
2733nArCOORnumber of esters (aromatic)Functional group counts
2734nRCONH2number of primary amides (aliphatic)Functional group counts
2735nArCONH2number of primary amides (aromatic)Functional group counts
2736nRCONHRnumber of secondary amides (aliphatic)Functional group counts
2737nArCONHRnumber of secondary amides (aromatic)Functional group counts
2738nRCONR2number of tertiary amides (aliphatic)Functional group counts
2739nArCONR2number of tertiary amides (aromatic)Functional group counts
2740nROCONnumber of (thio-) carbamates (aliphatic)Functional group counts
2741nArOCONnumber of (thio-) carbamates (aromatic)Functional group counts
2742nRCOXnumber of acyl halogenides (aliphatic)Functional group counts
2743nArCOXnumber of acyl halogenides (aromatic)Functional group counts
2744nRCSOHnumber of thioacids (aliphatic)Functional group counts
2745nArCSOHnumber of thioacids (aromatic)Functional group counts
2746nRCSSHnumber of dithioacids (aliphatic)Functional group counts
2747nArCSSHnumber of dithioacids (aromatic)Functional group counts
2748nRCOSRnumber of thioesters (aliphatic)Functional group counts
2749nArCOSRnumber of thioesters (aromatic)Functional group counts
2750nRCSSRnumber of dithioesters (aliphatic)Functional group counts
2751nArCSSRnumber of dithioesters (aromatic)Functional group counts
2752nRCHOnumber of aldehydes (aliphatic)Functional group counts
2753nArCHOnumber of aldehydes (aromatic)Functional group counts
2754nRCOnumber of ketones (aliphatic)Functional group counts
2755nArCOnumber of ketones (aromatic)Functional group counts
2756nCONNnumber of urea (-thio) derivativesFunctional group counts
2757nC=O(O)2number of carbonate (-thio) derivativesFunctional group counts
2758nN=C-N<number of amidine derivativesFunctional group counts
2759nC(=N)N2number of guanidine derivativesFunctional group counts
2760nRC=Nnumber of imines (aliphatic)Functional group counts
2761nArC=Nnumber of imines (aromatic)Functional group counts
2762nRCNOnumber of oximes (aliphatic)Functional group counts
2763nArCNOnumber of oximes (aromatic)Functional group counts
2764nRNH2number of primary amines (aliphatic)Functional group counts
2765nArNH2number of primary amines (aromatic)Functional group counts
2766nRNHRnumber of secondary amines (aliphatic)Functional group counts
2767nArNHRnumber of secondary amines (aromatic)Functional group counts
2768nRNR2number of tertiary amines (aliphatic)Functional group counts
2769nArNR2number of tertiary amines (aromatic)Functional group counts
2770nN-Nnumber of N hydrazinesFunctional group counts
2771nN=Nnumber of N azo-derivativesFunctional group counts
2772nRCNnumber of nitriles (aliphatic)Functional group counts
2773nArCNnumber of nitriles (aromatic)Functional group counts
2774nN+number of positively charged NFunctional group counts
2775nNqnumber of quaternary NFunctional group counts
2776nRNHOnumber of hydroxylamines (aliphatic)Functional group counts
2777nArNHOnumber of hydroxylamines (aromatic)Functional group counts
2778nRNNOxnumber of N-nitroso groups (aliphatic)Functional group counts
2779nArNNOxnumber of N-nitroso groups (aromatic)Functional group counts
2780nRNOnumber of nitroso groups (aliphatic)Functional group counts
2781nArNOnumber of nitroso groups (aromatic)Functional group counts
2782nRNO2number of nitro groups (aliphatic)Functional group counts
2783nArNO2number of nitro groups (aromatic)Functional group counts
2784nN(CO)2number of imides (-thio)Functional group counts
2785nC=N-N<number of hydrazonesFunctional group counts
2786nROHnumber of hydroxyl groupsFunctional group counts
2787nArOHnumber of aromatic hydroxylsFunctional group counts
2788nOHpnumber of primary alcoholsFunctional group counts
2789nOHsnumber of secondary alcoholsFunctional group counts
2790nOHtnumber of tertiary alcoholsFunctional group counts
2791nRORnumber of ethers (aliphatic)Functional group counts
2792nArORnumber of ethers (aromatic)Functional group counts
2793nROXnumber of hypohalogenides (aliphatic)Functional group counts
2794nArOXnumber of hypohalogenides (aromatic)Functional group counts
2795nO(C=O)2number of anhydrides (-thio)Functional group counts
2796nH2Onumber of water moleculesFunctional group counts
2797nSHnumber of thiolsFunctional group counts
2798nC=Snumber of thioketonesFunctional group counts
2799nRSRnumber of sulfidesFunctional group counts
2800nRSSRnumber of disulfidesFunctional group counts
2801nSOnumber of sulfoxidesFunctional group counts
2802nS(=O)2number of sulfonesFunctional group counts
2803nSOHnumber of sulfenic (thio-) acidsFunctional group counts
2804nSOOHnumber of sulfinic (thio-/dithio-) acidsFunctional group counts
2805nSO2OHnumber of sulfonic (thio-/dithio-) acidsFunctional group counts
2806nSO3OHnumber of sulfuric (thio-/dithio-) acidsFunctional group counts
2807nSO2number of sulfites (thio-/dithio-)Functional group counts
2808nSO3number of sulfonates (thio-/dithio-)Functional group counts
2809nSO4number of sulfates (thio-/dithio-)Functional group counts
2810nSO2Nnumber of sulfonamides (thio-/dithio-)Functional group counts
2811nPO3number of phosphites/thiophosphitesFunctional group counts
2812nPO4number of phosphates/thiophosphatesFunctional group counts
2813nPR3number of phosphanesFunctional group counts
2814nP(=O)O2Rnumber of phosphonates (thio-)Functional group counts
2815nP(=O)R3/nPR5number of phosphoranes (thio-)Functional group counts
2816nCH2RXnumber of CH2RXFunctional group counts
2817nCHR2Xnumber of CHR2XFunctional group counts
2818nCR3Xnumber of CR3XFunctional group counts
2819nR=CHXnumber of R=CHXFunctional group counts
2820nR=CRXnumber of R=CRXFunctional group counts
2821nR#CXnumber of R#CXFunctional group counts
2822nCHRX2number of CHRX2Functional group counts
2823nCR2X2number of CR2X2Functional group counts
2824nR=CX2number of R=CX2Functional group counts
2825nCRX3number of CRX3Functional group counts
2826nArXnumber of X on aromatic ringFunctional group counts
2827nCXrnumber of X on ring C(sp3)Functional group counts
2828nCXr=number of X on ring C(sp2)Functional group counts
2829nCconjXnumber of X on exo-conjugated CFunctional group counts
2830nAziridinesnumber of AziridinesFunctional group counts
2831nOxiranesnumber of OxiranesFunctional group counts
2832nThiranesnumber of ThiranesFunctional group counts
2833nAzetidinesnumber of AzetidinesFunctional group counts
2834nOxetanesnumber of OxetanesFunctional group counts
2835nThioethanesnumber of ThioethanesFunctional group counts
2836nBeta-Lactamsnumber of Beta-LactamsFunctional group counts
2837nPyrrolidinesnumber of PyrrolidinesFunctional group counts
2838nOxolanesnumber of OxolanesFunctional group counts
2839ntH-Thiophenesnumber of tetrahydro-thiophenesFunctional group counts
2840nPyrrolesnumber of PyrrolesFunctional group counts
2841nPyrazolesnumber of PyrazolesFunctional group counts
2842nImidazolesnumber of ImidazolesFunctional group counts
2843nFuranesnumber of FuranesFunctional group counts
2844nThiophenesnumber of ThiophenesFunctional group counts
2845nOxazolesnumber of OxazolesFunctional group counts
2846nIsoxazolesnumber of IsoxazolesFunctional group counts
2847nThiazolesnumber of ThiazolesFunctional group counts
2848nIsothiazolesnumber of IsothiazolesFunctional group counts
2849nTriazolesnumber of TriazolesFunctional group counts
2850nPyridinesnumber of PyridinesFunctional group counts
2851nPyridazinesnumber of PyridazinesFunctional group counts
2852nPyrimidinesnumber of PyrimidinesFunctional group counts
2853nPyrazinesnumber of PyrazinesFunctional group counts
2854n135-Triazinesnumber of 1-3-5-TriazinesFunctional group counts
2855n124-Triazinesnumber of 1-2-4-TriazinesFunctional group counts
2856nHDonnumber of donor atoms for H-bonds (N and O)Functional group counts
2857nHAccnumber of acceptor atoms for H-bonds (N,O,F)Functional group counts
2858nHBondsnumber of intramolecular H-bonds (with N,O,F)Functional group counts
2859C-001CH3R / CH4Atom-centred fragments
2860C-002CH2R2Atom-centred fragments
2861C-003CHR3Atom-centred fragments
2862C-004CR4Atom-centred fragments
2863C-005CH3XAtom-centred fragments
2864C-006CH2RXAtom-centred fragments
2865C-007CH2X2Atom-centred fragments
2866C-008CHR2XAtom-centred fragments
2867C-009CHRX2Atom-centred fragments
2868C-010CHX3Atom-centred fragments
2869C-011CR3XAtom-centred fragments
2870C-012CR2X2Atom-centred fragments
2871C-013CRX3Atom-centred fragments
2872C-014CX4Atom-centred fragments
2873C-015 =CH2Atom-centred fragments
2874C-016 =CHRAtom-centred fragments
2875C-017 =CR2Atom-centred fragments
2876C-018 =CHXAtom-centred fragments
2877C-019 =CRXAtom-centred fragments
2878C-020 =CX2Atom-centred fragments
2879C-021#CHAtom-centred fragments
2880C-022#CR / R=C=RAtom-centred fragments
2881C-023#CXAtom-centred fragments
2882C-024R--CH--RAtom-centred fragments
2883C-025R--CR--RAtom-centred fragments
2884C-026R--CX--RAtom-centred fragments
2885C-027R--CH--XAtom-centred fragments
2886C-028R--CR--XAtom-centred fragments
2887C-029R--CX--XAtom-centred fragments
2888C-030X--CH--XAtom-centred fragments
2889C-031X--CR--XAtom-centred fragments
2890C-032X--CX--XAtom-centred fragments
2891C-033R--CH..XAtom-centred fragments
2892C-034R--CR..XAtom-centred fragments
2893C-035R--CX..XAtom-centred fragments
2894C-036Al-CH=XAtom-centred fragments
2895C-037Ar-CH=XAtom-centred fragments
2896C-038Al-C(=X)-AlAtom-centred fragments
2897C-039Ar-C(=X)-RAtom-centred fragments
2898C-040R-C(=X)-X / R-C#X / X=C=XAtom-centred fragments
2899C-041X-C(=X)-XAtom-centred fragments
2900C-042X--CH..XAtom-centred fragments
2901C-043X--CR..XAtom-centred fragments
2902C-044X--CX..XAtom-centred fragments
2903H-046H attached to C0(sp3) no X attached to next CAtom-centred fragments
2904H-047H attached to C1(sp3)/C0(sp2)Atom-centred fragments
2905H-048H attached to C2(sp3)/C1(sp2)/C0(sp)Atom-centred fragments
2906H-049H attached to C3(sp3)/C2(sp2)/C3(sp2)/C3(sp)Atom-centred fragments
2907H-050H attached to heteroatomAtom-centred fragments
2908H-051H attached to alpha-CAtom-centred fragments
2909H-052H attached to C0(sp3) with 1X attached to next CAtom-centred fragments
2910H-053H attached to C0(sp3) with 2X attached to next CAtom-centred fragments
2911H-054H attached to C0(sp3) with 3X attached to next CAtom-centred fragments
2912H-055H attached to C0(sp3) with 4X attached to next CAtom-centred fragments
2913O-056alcoholAtom-centred fragments
2914O-057phenol / enol / carboxyl OHAtom-centred fragments
2915O-058=OAtom-centred fragments
2916O-059Al-O-AlAtom-centred fragments
2917O-060Al-O-Ar / Ar-O-Ar / R..O..R / R-O-C=XAtom-centred fragments
2918O-061O--Atom-centred fragments
2919O-062O- (negatively charged)Atom-centred fragments
2920O-063R-O-O-RAtom-centred fragments
2921Se-064Any-Se-AnyAtom-centred fragments
2922Se-065=SeAtom-centred fragments
2923N-066Al-NH2Atom-centred fragments
2924N-067Al2-NHAtom-centred fragments
2925N-068Al3-NAtom-centred fragments
2926N-069Ar-NH2 / X-NH2Atom-centred fragments
2927N-070Ar-NH-AlAtom-centred fragments
2928N-071Ar-NAl2Atom-centred fragments
2929N-072RCO-N< / >N-X=XAtom-centred fragments
2930N-073Ar2NH / Ar3N / Ar2N-Al / R..N..RAtom-centred fragments
2931N-074R#N / R=N-Atom-centred fragments
2932N-075R--N--R / R--N--XAtom-centred fragments
2933N-076Ar-NO2 / R--N(--R)--O / RO-NOAtom-centred fragments
2934N-077Al-NO2Atom-centred fragments
2935N-078Ar-N=X / X-N=XAtom-centred fragments
2936N-079N+ (positively charged)Atom-centred fragments
2937F-081F attached to C1(sp3)Atom-centred fragments
2938F-082F attached to C2(sp3)Atom-centred fragments
2939F-083F attached to C3(sp3)Atom-centred fragments
2940F-084F attached to C1(sp2)Atom-centred fragments
2941F-085F attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/XAtom-centred fragments
2942Cl-086Cl attached to C1(sp3)Atom-centred fragments
2943Cl-087Cl attached to C2(sp3)Atom-centred fragments
2944Cl-088Cl attached to C3(sp3)Atom-centred fragments
2945Cl-089Cl attached to C1(sp2)Atom-centred fragments
2946Cl-090Cl attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/XAtom-centred fragments
2947Br-091Br attached to C1(sp3)Atom-centred fragments
2948Br-092Br attached to C2(sp3)Atom-centred fragments
2949Br-093Br attached to C3(sp3)Atom-centred fragments
2950Br-094Br attached to C1(sp2)Atom-centred fragments
2951Br-095Br attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/XAtom-centred fragments
2952I-096I attached to C1(sp3)Atom-centred fragments
2953I-097I attached to C2(sp3)Atom-centred fragments
2954I-098I attached to C3(sp3)Atom-centred fragments
2955I-099I attached to C1(sp2)Atom-centred fragments
2956I-100I attached to C2(sp2)-C4(sp2)/C1(sp)/C4(sp3)/XAtom-centred fragments
2957F-101fluoride ionAtom-centred fragments
2958Cl-102chloride ionAtom-centred fragments
2959Br-103bromide ionAtom-centred fragments
2960I-104iodide ionAtom-centred fragments
2961S-106R-SHAtom-centred fragments
2962S-107R2S / RS-SRAtom-centred fragments
2963S-108R=SAtom-centred fragments
2964S-109R-SO-RAtom-centred fragments
2965S-110R-SO2-RAtom-centred fragments
2966Si-111>Si<Atom-centred fragments
2967B-112>B- as in boranesAtom-centred fragments
2968P-115P ylidsAtom-centred fragments
2969P-116R3-P=XAtom-centred fragments
2970P-117X3-P=X (phosphate)Atom-centred fragments
2971P-118PX3 (phosphite)Atom-centred fragments
2972P-119PR3 (phosphine)Atom-centred fragments
2973P-120C-P(X)2=X (phosphonate)Atom-centred fragments
2974SsCH3Sum of sCH3 E-statesAtom-type E-state indices
2975SdCH2Sum of dCH2 E-statesAtom-type E-state indices
2976SssCH2Sum of ssCH2 E-statesAtom-type E-state indices
2977StCHSum of tCH E-statesAtom-type E-state indices
2978SdsCHSum of dsCH E-statesAtom-type E-state indices
2979SaaCHSum of aaCH E-statesAtom-type E-state indices
2980SsssCHSum of sssCH E-statesAtom-type E-state indices
2981SddCSum of ddC E-statesAtom-type E-state indices
2982StsCSum of tsC E-statesAtom-type E-state indices
2983SdssCSum of dssC E-statesAtom-type E-state indices
2984SaasCSum of aasC E-statesAtom-type E-state indices
2985SaaaCSum of aaaC E-statesAtom-type E-state indices
2986SssssCSum of ssssC E-statesAtom-type E-state indices
2987SsNH2Sum of sNH2 E-statesAtom-type E-state indices
2988SssNHSum of ssNH E-statesAtom-type E-state indices
2989SdNHSum of dNH E-statesAtom-type E-state indices
2990SsssNSum of sssN E-statesAtom-type E-state indices
2991SdsNSum of dsN E-statesAtom-type E-state indices
2992SaaNSum of aaN E-statesAtom-type E-state indices
2993StNSum of tN E-statesAtom-type E-state indices
2994SsNH3+Sum of sNH3+ E-statesAtom-type E-state indices
2995SssNH2+Sum of ssNH2+ E-statesAtom-type E-state indices
2996SdNH2+Sum of dNH2+ E-statesAtom-type E-state indices
2997SsssNH+Sum of sssNH+ E-statesAtom-type E-state indices
2998SssssN+Sum of ssssN+ E-statesAtom-type E-state indices
2999SddsNSum of ddsN E-statesAtom-type E-state indices
3000SaadNSum of aadN E-statesAtom-type E-state indices
3001SaasNSum of aasN E-statesAtom-type E-state indices
3002SaaNHSum of aaNH E-statesAtom-type E-state indices
3003SsOHSum of sOH E-statesAtom-type E-state indices
3004SdOSum of dO E-statesAtom-type E-state indices
3005SssOSum of ssO E-statesAtom-type E-state indices
3006SaaOSum of aaO E-statesAtom-type E-state indices
3007SsPH2Sum of sPH2 E-statesAtom-type E-state indices
3008SssPHSum of ssPH E-statesAtom-type E-state indices
3009SsssPSum of sssP E-statesAtom-type E-state indices
3010SdsssPSum of dsssP E-statesAtom-type E-state indices
3011SddsPSum of ddsP E-statesAtom-type E-state indices
3012SsssssPSum of sssssP E-statesAtom-type E-state indices
3013SsSHSum of sSH E-statesAtom-type E-state indices
3014SdSSum of dS E-statesAtom-type E-state indices
3015SssSSum of ssS E-statesAtom-type E-state indices
3016SaaSSum of aaS E-statesAtom-type E-state indices
3017SdssSSum of dssS E-statesAtom-type E-state indices
3018SddssSSum of ddssS E-statesAtom-type E-state indices
3019SssssssSSum of ssssssS E-statesAtom-type E-state indices
3020SsFSum of sF E-statesAtom-type E-state indices
3021SsClSum of sCl E-statesAtom-type E-state indices
3022SsBrSum of sBr E-statesAtom-type E-state indices
3023SsISum of sI E-statesAtom-type E-state indices
3024SsLiSum of sLi E-statesAtom-type E-state indices
3025SssBeSum of ssBe E-statesAtom-type E-state indices
3026SssssBe-Sum of ssssBe- E-statesAtom-type E-state indices
3027SsBH2Sum of sBH2 E-statesAtom-type E-state indices
3028SssBHSum of ssBH E-statesAtom-type E-state indices
3029SsssBSum of sssB E-statesAtom-type E-state indices
3030SssssB-Sum of ssssB- E-statesAtom-type E-state indices
3031SsGeH3Sum of sGeH3 E-statesAtom-type E-state indices
3032SssGeH2Sum of ssGeH2 E-statesAtom-type E-state indices
3033SsssGeHSum of sssGeH E-statesAtom-type E-state indices
3034SssssGeSum of ssssGe E-statesAtom-type E-state indices
3035SsAsH2Sum of sAsH2 E-statesAtom-type E-state indices
3036SssAsHSum of ssAsH E-statesAtom-type E-state indices
3037SsssAsSum of sssAs E-statesAtom-type E-state indices
3038SsssssAsSum of sssssAs E-statesAtom-type E-state indices
3039SdsssAsSum of dsssAs E-statesAtom-type E-state indices
3040SddsAsSum of ddsAs E-statesAtom-type E-state indices
3041SsSeHSum of sSeH E-statesAtom-type E-state indices
3042SdSeSum of dSe E-statesAtom-type E-state indices
3043SssSeSum of ssSe E-statesAtom-type E-state indices
3044SaaSeSum of aaSe E-statesAtom-type E-state indices
3045SdssSeSum of dssSe E-statesAtom-type E-state indices
3046SssssssSeSum of ssssssSe E-statesAtom-type E-state indices
3047SddssSeSum of ddssSe E-statesAtom-type E-state indices
3048SsSnH3Sum of sSnH3 E-statesAtom-type E-state indices
3049SssSnH2Sum of ssSnH2 E-statesAtom-type E-state indices
3050SsssSnHSum of sssSnH E-statesAtom-type E-state indices
3051SssssSnSum of ssssSn E-statesAtom-type E-state indices
3052SsPbH3Sum of sPbH3 E-statesAtom-type E-state indices
3053SssPbH2Sum of ssPbH2 E-statesAtom-type E-state indices
3054SsssPbHSum of sssPbH E-statesAtom-type E-state indices
3055SssssPbSum of ssssPb E-statesAtom-type E-state indices
3056SsSiH3Sum of sSiH3 E-statesAtom-type E-state indices
3057SssSiH2Sum of ssSiH2 E-statesAtom-type E-state indices
3058SsssSiHSum of sssSiH E-statesAtom-type E-state indices
3059SssssSiSum of ssssSi E-statesAtom-type E-state indices
3060NsCH3Number of atoms of type sCH3Atom-type E-state indices
3061NdCH2Number of atoms of type dCH2Atom-type E-state indices
3062NssCH2Number of atoms of type ssCH2Atom-type E-state indices
3063NtCHNumber of atoms of type tCHAtom-type E-state indices
3064NdsCHNumber of atoms of type dsCHAtom-type E-state indices
3065NaaCHNumber of atoms of type aaCHAtom-type E-state indices
3066NsssCHNumber of atoms of type sssCHAtom-type E-state indices
3067NddCNumber of atoms of type ddCAtom-type E-state indices
3068NtsCNumber of atoms of type tsCAtom-type E-state indices
3069NdssCNumber of atoms of type dssCAtom-type E-state indices
3070NaasCNumber of atoms of type aasCAtom-type E-state indices
3071NaaaCNumber of atoms of type aaaCAtom-type E-state indices
3072NssssCNumber of atoms of type ssssCAtom-type E-state indices
3073NsNH2Number of atoms of type sNH2Atom-type E-state indices
3074NssNHNumber of atoms of type ssNHAtom-type E-state indices
3075NdNHNumber of atoms of type dNHAtom-type E-state indices
3076NsssNNumber of atoms of type sssNAtom-type E-state indices
3077NdsNNumber of atoms of type dsNAtom-type E-state indices
3078NaaNNumber of atoms of type aaNAtom-type E-state indices
3079NtNNumber of atoms of type tNAtom-type E-state indices
3080NsNH3+Number of atoms of type sNH3+Atom-type E-state indices
3081NssNH2+Number of atoms of type ssNH2+Atom-type E-state indices
3082NdNH2+Number of atoms of type dNH2+Atom-type E-state indices
3083NsssNH+Number of atoms of type sssNH+Atom-type E-state indices
3084NssssN+Number of atoms of type ssssN+Atom-type E-state indices
3085NddsNNumber of atoms of type ddsNAtom-type E-state indices
3086NaadNNumber of atoms of type aadNAtom-type E-state indices
3087NaasNNumber of atoms of type aasNAtom-type E-state indices
3088NaaNHNumber of atoms of type aaNHAtom-type E-state indices
3089NsOHNumber of atoms of type sOHAtom-type E-state indices
3090NdONumber of atoms of type dOAtom-type E-state indices
3091NssONumber of atoms of type ssOAtom-type E-state indices
3092NaaONumber of atoms of type aaOAtom-type E-state indices
3093NsPH2Number of atoms of type sPH2Atom-type E-state indices
3094NssPHNumber of atoms of type ssPHAtom-type E-state indices
3095NsssPNumber of atoms of type sssPAtom-type E-state indices
3096NdsssPNumber of atoms of type dsssPAtom-type E-state indices
3097NddsPNumber of atoms of type ddsPAtom-type E-state indices
3098NsssssPNumber of atoms of type sssssPAtom-type E-state indices
3099NsSHNumber of atoms of type sSHAtom-type E-state indices
3100NdSNumber of atoms of type dSAtom-type E-state indices
3101NssSNumber of atoms of type ssSAtom-type E-state indices
3102NaaSNumber of atoms of type aaSAtom-type E-state indices
3103NdssSNumber of atoms of type dssSAtom-type E-state indices
3104NddssSNumber of atoms of type ddssSAtom-type E-state indices
3105NssssssSNumber of atoms of type ssssssSAtom-type E-state indices
3106NsFNumber of atoms of type sFAtom-type E-state indices
3107NsClNumber of atoms of type sClAtom-type E-state indices
3108NsBrNumber of atoms of type sBrAtom-type E-state indices
3109NsINumber of atoms of type sIAtom-type E-state indices
3110NsLiNumber of atoms of type sLiAtom-type E-state indices
3111NssBeNumber of atoms of type ssBeAtom-type E-state indices
3112NssssBe-Number of atoms of type ssssBe-Atom-type E-state indices
3113NsBH2Number of atoms of type sBH2Atom-type E-state indices
3114NssBHNumber of atoms of type ssBHAtom-type E-state indices
3115NsssBNumber of atoms of type sssBAtom-type E-state indices
3116NssssB-Number of atoms of type ssssB-Atom-type E-state indices
3117NsGeH3Number of atoms of type sGeH3Atom-type E-state indices
3118NssGeH2Number of atoms of type ssGeH2Atom-type E-state indices
3119NsssGeHNumber of atoms of type sssGeHAtom-type E-state indices
3120NssssGeNumber of atoms of type ssssGeAtom-type E-state indices
3121NsAsH2Number of atoms of type sAsH2Atom-type E-state indices
3122NssAsHNumber of atoms of type ssAsHAtom-type E-state indices
3123NsssAsNumber of atoms of type sssAsAtom-type E-state indices
3124NsssssAsNumber of atoms of type sssssAsAtom-type E-state indices
3125NdsssAsNumber of atoms of type dsssAsAtom-type E-state indices
3126NddsAsNumber of atoms of type ddsAsAtom-type E-state indices
3127NsSeHNumber of atoms of type sSeHAtom-type E-state indices
3128NdSeNumber of atoms of type dSeAtom-type E-state indices
3129NssSeNumber of atoms of type ssSeAtom-type E-state indices
3130NaaSeNumber of atoms of type aaSeAtom-type E-state indices
3131NdssSeNumber of atoms of type dssSeAtom-type E-state indices
3132NssssssSeNumber of atoms of type ssssssSeAtom-type E-state indices
3133NddssSeNumber of atoms of type ddssSeAtom-type E-state indices
3134NsSnH3Number of atoms of type sSnH3Atom-type E-state indices
3135NssSnH2Number of atoms of type ssSnH2Atom-type E-state indices
3136NsssSnHNumber of atoms of type sssSnHAtom-type E-state indices
3137NssssSnNumber of atoms of type ssssSnAtom-type E-state indices
3138NsPbH3Number of atoms of type sPbH3Atom-type E-state indices
3139NssPbH2Number of atoms of type ssPbH2Atom-type E-state indices
3140NsssPbHNumber of atoms of type sssPbHAtom-type E-state indices
3141NssssPbNumber of atoms of type ssssPbAtom-type E-state indices
3142NsSiH3Number of atoms of type sSiH3Atom-type E-state indices
3143NssSiH2Number of atoms of type ssSiH2Atom-type E-state indices
3144NsssSiHNumber of atoms of type sssSiHAtom-type E-state indices
3145NssssSiNumber of atoms of type ssssSiAtom-type E-state indices
3146CATS2D_00_DDCATS2D Donor-Donor at lag 00Pharmacophore descriptors
3147CATS2D_01_DDCATS2D Donor-Donor at lag 01Pharmacophore descriptors
3148CATS2D_02_DDCATS2D Donor-Donor at lag 02Pharmacophore descriptors
3149CATS2D_03_DDCATS2D Donor-Donor at lag 03Pharmacophore descriptors
3150CATS2D_04_DDCATS2D Donor-Donor at lag 04Pharmacophore descriptors
3151CATS2D_05_DDCATS2D Donor-Donor at lag 05Pharmacophore descriptors
3152CATS2D_06_DDCATS2D Donor-Donor at lag 06Pharmacophore descriptors
3153CATS2D_07_DDCATS2D Donor-Donor at lag 07Pharmacophore descriptors
3154CATS2D_08_DDCATS2D Donor-Donor at lag 08Pharmacophore descriptors
3155CATS2D_09_DDCATS2D Donor-Donor at lag 09Pharmacophore descriptors
3156CATS2D_00_DACATS2D Donor-Acceptor at lag 00Pharmacophore descriptors
3157CATS2D_01_DACATS2D Donor-Acceptor at lag 01Pharmacophore descriptors
3158CATS2D_02_DACATS2D Donor-Acceptor at lag 02Pharmacophore descriptors
3159CATS2D_03_DACATS2D Donor-Acceptor at lag 03Pharmacophore descriptors
3160CATS2D_04_DACATS2D Donor-Acceptor at lag 04Pharmacophore descriptors
3161CATS2D_05_DACATS2D Donor-Acceptor at lag 05Pharmacophore descriptors
3162CATS2D_06_DACATS2D Donor-Acceptor at lag 06Pharmacophore descriptors
3163CATS2D_07_DACATS2D Donor-Acceptor at lag 07Pharmacophore descriptors
3164CATS2D_08_DACATS2D Donor-Acceptor at lag 08Pharmacophore descriptors
3165CATS2D_09_DACATS2D Donor-Acceptor at lag 09Pharmacophore descriptors
3166CATS2D_00_DPCATS2D Donor-Positive at lag 00Pharmacophore descriptors
3167CATS2D_01_DPCATS2D Donor-Positive at lag 01Pharmacophore descriptors
3168CATS2D_02_DPCATS2D Donor-Positive at lag 02Pharmacophore descriptors
3169CATS2D_03_DPCATS2D Donor-Positive at lag 03Pharmacophore descriptors
3170CATS2D_04_DPCATS2D Donor-Positive at lag 04Pharmacophore descriptors
3171CATS2D_05_DPCATS2D Donor-Positive at lag 05Pharmacophore descriptors
3172CATS2D_06_DPCATS2D Donor-Positive at lag 06Pharmacophore descriptors
3173CATS2D_07_DPCATS2D Donor-Positive at lag 07Pharmacophore descriptors
3174CATS2D_08_DPCATS2D Donor-Positive at lag 08Pharmacophore descriptors
3175CATS2D_09_DPCATS2D Donor-Positive at lag 09Pharmacophore descriptors
3176CATS2D_00_DNCATS2D Donor-Negative at lag 00Pharmacophore descriptors
3177CATS2D_01_DNCATS2D Donor-Negative at lag 01Pharmacophore descriptors
3178CATS2D_02_DNCATS2D Donor-Negative at lag 02Pharmacophore descriptors
3179CATS2D_03_DNCATS2D Donor-Negative at lag 03Pharmacophore descriptors
3180CATS2D_04_DNCATS2D Donor-Negative at lag 04Pharmacophore descriptors
3181CATS2D_05_DNCATS2D Donor-Negative at lag 05Pharmacophore descriptors
3182CATS2D_06_DNCATS2D Donor-Negative at lag 06Pharmacophore descriptors
3183CATS2D_07_DNCATS2D Donor-Negative at lag 07Pharmacophore descriptors
3184CATS2D_08_DNCATS2D Donor-Negative at lag 08Pharmacophore descriptors
3185CATS2D_09_DNCATS2D Donor-Negative at lag 09Pharmacophore descriptors
3186CATS2D_00_DLCATS2D Donor-Lipophilic at lag 00Pharmacophore descriptors
3187CATS2D_01_DLCATS2D Donor-Lipophilic at lag 01Pharmacophore descriptors
3188CATS2D_02_DLCATS2D Donor-Lipophilic at lag 02Pharmacophore descriptors
3189CATS2D_03_DLCATS2D Donor-Lipophilic at lag 03Pharmacophore descriptors
3190CATS2D_04_DLCATS2D Donor-Lipophilic at lag 04Pharmacophore descriptors
3191CATS2D_05_DLCATS2D Donor-Lipophilic at lag 05Pharmacophore descriptors
3192CATS2D_06_DLCATS2D Donor-Lipophilic at lag 06Pharmacophore descriptors
3193CATS2D_07_DLCATS2D Donor-Lipophilic at lag 07Pharmacophore descriptors
3194CATS2D_08_DLCATS2D Donor-Lipophilic at lag 08Pharmacophore descriptors
3195CATS2D_09_DLCATS2D Donor-Lipophilic at lag 09Pharmacophore descriptors
3196CATS2D_00_AACATS2D Acceptor-Acceptor at lag 00Pharmacophore descriptors
3197CATS2D_01_AACATS2D Acceptor-Acceptor at lag 01Pharmacophore descriptors
3198CATS2D_02_AACATS2D Acceptor-Acceptor at lag 02Pharmacophore descriptors
3199CATS2D_03_AACATS2D Acceptor-Acceptor at lag 03Pharmacophore descriptors
3200CATS2D_04_AACATS2D Acceptor-Acceptor at lag 04Pharmacophore descriptors
3201CATS2D_05_AACATS2D Acceptor-Acceptor at lag 05Pharmacophore descriptors
3202CATS2D_06_AACATS2D Acceptor-Acceptor at lag 06Pharmacophore descriptors
3203CATS2D_07_AACATS2D Acceptor-Acceptor at lag 07Pharmacophore descriptors
3204CATS2D_08_AACATS2D Acceptor-Acceptor at lag 08Pharmacophore descriptors
3205CATS2D_09_AACATS2D Acceptor-Acceptor at lag 09Pharmacophore descriptors
3206CATS2D_00_APCATS2D Acceptor-Positive at lag 00Pharmacophore descriptors
3207CATS2D_01_APCATS2D Acceptor-Positive at lag 01Pharmacophore descriptors
3208CATS2D_02_APCATS2D Acceptor-Positive at lag 02Pharmacophore descriptors
3209CATS2D_03_APCATS2D Acceptor-Positive at lag 03Pharmacophore descriptors
3210CATS2D_04_APCATS2D Acceptor-Positive at lag 04Pharmacophore descriptors
3211CATS2D_05_APCATS2D Acceptor-Positive at lag 05Pharmacophore descriptors
3212CATS2D_06_APCATS2D Acceptor-Positive at lag 06Pharmacophore descriptors
3213CATS2D_07_APCATS2D Acceptor-Positive at lag 07Pharmacophore descriptors
3214CATS2D_08_APCATS2D Acceptor-Positive at lag 08Pharmacophore descriptors
3215CATS2D_09_APCATS2D Acceptor-Positive at lag 09Pharmacophore descriptors
3216CATS2D_00_ANCATS2D Acceptor-Negative at lag 00Pharmacophore descriptors
3217CATS2D_01_ANCATS2D Acceptor-Negative at lag 01Pharmacophore descriptors
3218CATS2D_02_ANCATS2D Acceptor-Negative at lag 02Pharmacophore descriptors
3219CATS2D_03_ANCATS2D Acceptor-Negative at lag 03Pharmacophore descriptors
3220CATS2D_04_ANCATS2D Acceptor-Negative at lag 04Pharmacophore descriptors
3221CATS2D_05_ANCATS2D Acceptor-Negative at lag 05Pharmacophore descriptors
3222CATS2D_06_ANCATS2D Acceptor-Negative at lag 06Pharmacophore descriptors
3223CATS2D_07_ANCATS2D Acceptor-Negative at lag 07Pharmacophore descriptors
3224CATS2D_08_ANCATS2D Acceptor-Negative at lag 08Pharmacophore descriptors
3225CATS2D_09_ANCATS2D Acceptor-Negative at lag 09Pharmacophore descriptors
3226CATS2D_00_ALCATS2D Acceptor-Lipophilic at lag 00Pharmacophore descriptors
3227CATS2D_01_ALCATS2D Acceptor-Lipophilic at lag 01Pharmacophore descriptors
3228CATS2D_02_ALCATS2D Acceptor-Lipophilic at lag 02Pharmacophore descriptors
3229CATS2D_03_ALCATS2D Acceptor-Lipophilic at lag 03Pharmacophore descriptors
3230CATS2D_04_ALCATS2D Acceptor-Lipophilic at lag 04Pharmacophore descriptors
3231CATS2D_05_ALCATS2D Acceptor-Lipophilic at lag 05Pharmacophore descriptors
3232CATS2D_06_ALCATS2D Acceptor-Lipophilic at lag 06Pharmacophore descriptors
3233CATS2D_07_ALCATS2D Acceptor-Lipophilic at lag 07Pharmacophore descriptors
3234CATS2D_08_ALCATS2D Acceptor-Lipophilic at lag 08Pharmacophore descriptors
3235CATS2D_09_ALCATS2D Acceptor-Lipophilic at lag 09Pharmacophore descriptors
3236CATS2D_00_PPCATS2D Positive-Positive at lag 00Pharmacophore descriptors
3237CATS2D_01_PPCATS2D Positive-Positive at lag 01Pharmacophore descriptors
3238CATS2D_02_PPCATS2D Positive-Positive at lag 02Pharmacophore descriptors
3239CATS2D_03_PPCATS2D Positive-Positive at lag 03Pharmacophore descriptors
3240CATS2D_04_PPCATS2D Positive-Positive at lag 04Pharmacophore descriptors
3241CATS2D_05_PPCATS2D Positive-Positive at lag 05Pharmacophore descriptors
3242CATS2D_06_PPCATS2D Positive-Positive at lag 06Pharmacophore descriptors
3243CATS2D_07_PPCATS2D Positive-Positive at lag 07Pharmacophore descriptors
3244CATS2D_08_PPCATS2D Positive-Positive at lag 08Pharmacophore descriptors
3245CATS2D_09_PPCATS2D Positive-Positive at lag 09Pharmacophore descriptors
3246CATS2D_00_PNCATS2D Positive-Negative at lag 00Pharmacophore descriptors
3247CATS2D_01_PNCATS2D Positive-Negative at lag 01Pharmacophore descriptors
3248CATS2D_02_PNCATS2D Positive-Negative at lag 02Pharmacophore descriptors
3249CATS2D_03_PNCATS2D Positive-Negative at lag 03Pharmacophore descriptors
3250CATS2D_04_PNCATS2D Positive-Negative at lag 04Pharmacophore descriptors
3251CATS2D_05_PNCATS2D Positive-Negative at lag 05Pharmacophore descriptors
3252CATS2D_06_PNCATS2D Positive-Negative at lag 06Pharmacophore descriptors
3253CATS2D_07_PNCATS2D Positive-Negative at lag 07Pharmacophore descriptors
3254CATS2D_08_PNCATS2D Positive-Negative at lag 08Pharmacophore descriptors
3255CATS2D_09_PNCATS2D Positive-Negative at lag 09Pharmacophore descriptors
3256CATS2D_00_PLCATS2D Positive-Lipophilic at lag 00Pharmacophore descriptors
3257CATS2D_01_PLCATS2D Positive-Lipophilic at lag 01Pharmacophore descriptors
3258CATS2D_02_PLCATS2D Positive-Lipophilic at lag 02Pharmacophore descriptors
3259CATS2D_03_PLCATS2D Positive-Lipophilic at lag 03Pharmacophore descriptors
3260CATS2D_04_PLCATS2D Positive-Lipophilic at lag 04Pharmacophore descriptors
3261CATS2D_05_PLCATS2D Positive-Lipophilic at lag 05Pharmacophore descriptors
3262CATS2D_06_PLCATS2D Positive-Lipophilic at lag 06Pharmacophore descriptors
3263CATS2D_07_PLCATS2D Positive-Lipophilic at lag 07Pharmacophore descriptors
3264CATS2D_08_PLCATS2D Positive-Lipophilic at lag 08Pharmacophore descriptors
3265CATS2D_09_PLCATS2D Positive-Lipophilic at lag 09Pharmacophore descriptors
3266CATS2D_00_NNCATS2D Negative-Negative at lag 00Pharmacophore descriptors
3267CATS2D_01_NNCATS2D Negative-Negative at lag 01Pharmacophore descriptors
3268CATS2D_02_NNCATS2D Negative-Negative at lag 02Pharmacophore descriptors
3269CATS2D_03_NNCATS2D Negative-Negative at lag 03Pharmacophore descriptors
3270CATS2D_04_NNCATS2D Negative-Negative at lag 04Pharmacophore descriptors
3271CATS2D_05_NNCATS2D Negative-Negative at lag 05Pharmacophore descriptors
3272CATS2D_06_NNCATS2D Negative-Negative at lag 06Pharmacophore descriptors
3273CATS2D_07_NNCATS2D Negative-Negative at lag 07Pharmacophore descriptors
3274CATS2D_08_NNCATS2D Negative-Negative at lag 08Pharmacophore descriptors
3275CATS2D_09_NNCATS2D Negative-Negative at lag 09Pharmacophore descriptors
3276CATS2D_00_NLCATS2D Negative-Lipophilic at lag 00Pharmacophore descriptors
3277CATS2D_01_NLCATS2D Negative-Lipophilic at lag 01Pharmacophore descriptors
3278CATS2D_02_NLCATS2D Negative-Lipophilic at lag 02Pharmacophore descriptors
3279CATS2D_03_NLCATS2D Negative-Lipophilic at lag 03Pharmacophore descriptors
3280CATS2D_04_NLCATS2D Negative-Lipophilic at lag 04Pharmacophore descriptors
3281CATS2D_05_NLCATS2D Negative-Lipophilic at lag 05Pharmacophore descriptors
3282CATS2D_06_NLCATS2D Negative-Lipophilic at lag 06Pharmacophore descriptors
3283CATS2D_07_NLCATS2D Negative-Lipophilic at lag 07Pharmacophore descriptors
3284CATS2D_08_NLCATS2D Negative-Lipophilic at lag 08Pharmacophore descriptors
3285CATS2D_09_NLCATS2D Negative-Lipophilic at lag 09Pharmacophore descriptors
3286CATS2D_00_LLCATS2D Lipophilic-Lipophilic at lag 00Pharmacophore descriptors
3287CATS2D_01_LLCATS2D Lipophilic-Lipophilic at lag 01Pharmacophore descriptors
3288CATS2D_02_LLCATS2D Lipophilic-Lipophilic at lag 02Pharmacophore descriptors
3289CATS2D_03_LLCATS2D Lipophilic-Lipophilic at lag 03Pharmacophore descriptors
3290CATS2D_04_LLCATS2D Lipophilic-Lipophilic at lag 04Pharmacophore descriptors
3291CATS2D_05_LLCATS2D Lipophilic-Lipophilic at lag 05Pharmacophore descriptors
3292CATS2D_06_LLCATS2D Lipophilic-Lipophilic at lag 06Pharmacophore descriptors
3293CATS2D_07_LLCATS2D Lipophilic-Lipophilic at lag 07Pharmacophore descriptors
3294CATS2D_08_LLCATS2D Lipophilic-Lipophilic at lag 08Pharmacophore descriptors
3295CATS2D_09_LLCATS2D Lipophilic-Lipophilic at lag 09Pharmacophore descriptors
3296SHED_DDSHED Donor-DonorPharmacophore descriptors
3297SHED_DASHED Donor-AcceptorPharmacophore descriptors
3298SHED_DPSHED Donor-PositivePharmacophore descriptors
3299SHED_DNSHED Donor-NegativePharmacophore descriptors
3300SHED_DLSHED Donor-LipophilicPharmacophore descriptors
3301SHED_AASHED Acceptor-AcceptorPharmacophore descriptors
3302SHED_APSHED Acceptor-PositivePharmacophore descriptors
3303SHED_ANSHED Acceptor-NegativePharmacophore descriptors
3304SHED_ALSHED Acceptor-LipophilicPharmacophore descriptors
3305SHED_PPSHED Positive-PositivePharmacophore descriptors
3306SHED_PNSHED Positive-NegativePharmacophore descriptors
3307SHED_PLSHED Positive-LipophilicPharmacophore descriptors
3308SHED_NNSHED Negative-NegativePharmacophore descriptors
3309SHED_NLSHED Negative-LipophilicPharmacophore descriptors
3310SHED_LLSHED Lipophilic-LipophilicPharmacophore descriptors
3311T(N..N)sum of topological distances between N..N2D Atom Pairs
3312T(N..O)sum of topological distances between N..O2D Atom Pairs
3313T(N..S)sum of topological distances between N..S2D Atom Pairs
3314T(N..P)sum of topological distances between N..P2D Atom Pairs
3315T(N..F)sum of topological distances between N..F2D Atom Pairs
3316T(N..Cl)sum of topological distances between N..Cl2D Atom Pairs
3317T(N..Br)sum of topological distances between N..Br2D Atom Pairs
3318T(N..I)sum of topological distances between N..I2D Atom Pairs
3319T(O..O)sum of topological distances between O..O2D Atom Pairs
3320T(O..S)sum of topological distances between O..S2D Atom Pairs
3321T(O..P)sum of topological distances between O..P2D Atom Pairs
3322T(O..F)sum of topological distances between O..F2D Atom Pairs
3323T(O..Cl)sum of topological distances between O..Cl2D Atom Pairs
3324T(O..Br)sum of topological distances between O..Br2D Atom Pairs
3325T(O..I)sum of topological distances between O..I2D Atom Pairs
3326T(S..S)sum of topological distances between S..S2D Atom Pairs
3327T(S..P)sum of topological distances between S..P2D Atom Pairs
3328T(S..F)sum of topological distances between S..F2D Atom Pairs
3329T(S..Cl)sum of topological distances between S..Cl2D Atom Pairs
3330T(S..Br)sum of topological distances between S..Br2D Atom Pairs
3331T(S..I)sum of topological distances between S..I2D Atom Pairs
3332T(P..P)sum of topological distances between P..P2D Atom Pairs
3333T(P..F)sum of topological distances between P..F2D Atom Pairs
3334T(P..Cl)sum of topological distances between P..Cl2D Atom Pairs
3335T(P..Br)sum of topological distances between P..Br2D Atom Pairs
3336T(P..I)sum of topological distances between P..I2D Atom Pairs
3337T(F..F)sum of topological distances between F..F2D Atom Pairs
3338T(F..Cl)sum of topological distances between F..Cl2D Atom Pairs
3339T(F..Br)sum of topological distances between F..Br2D Atom Pairs
3340T(F..I)sum of topological distances between F..I2D Atom Pairs
3341T(Cl..Cl)sum of topological distances between Cl..Cl2D Atom Pairs
3342T(Cl..Br)sum of topological distances between Cl..Br2D Atom Pairs
3343T(Cl..I)sum of topological distances between Cl..I2D Atom Pairs
3344T(Br..Br)sum of topological distances between Br..Br2D Atom Pairs
3345T(Br..I)sum of topological distances between Br..I2D Atom Pairs
3346T(I..I)sum of topological distances between I..I2D Atom Pairs
3347B01[C-C]Presence/absence of C - C at topological distance 12D Atom Pairs
3348B01[C-N]Presence/absence of C - N at topological distance 12D Atom Pairs
3349B01[C-O]Presence/absence of C - O at topological distance 12D Atom Pairs
3350B01[C-S]Presence/absence of C - S at topological distance 12D Atom Pairs
3351B01[C-P]Presence/absence of C - P at topological distance 12D Atom Pairs
3352B01[C-F]Presence/absence of C - F at topological distance 12D Atom Pairs
3353B01[C-Cl]Presence/absence of C - Cl at topological distance 12D Atom Pairs
3354B01[C-Br]Presence/absence of C - Br at topological distance 12D Atom Pairs
3355B01[C-I]Presence/absence of C - I at topological distance 12D Atom Pairs
3356B01[C-B]Presence/absence of C - B at topological distance 12D Atom Pairs
3357B01[C-Si]Presence/absence of C - Si at topological distance 12D Atom Pairs
3358B01[C-X]Presence/absence of C - X at topological distance 12D Atom Pairs
3359B01[N-N]Presence/absence of N - N at topological distance 12D Atom Pairs
3360B01[N-O]Presence/absence of N - O at topological distance 12D Atom Pairs
3361B01[N-S]Presence/absence of N - S at topological distance 12D Atom Pairs
3362B01[N-P]Presence/absence of N - P at topological distance 12D Atom Pairs
3363B01[N-F]Presence/absence of N - F at topological distance 12D Atom Pairs
3364B01[N-Cl]Presence/absence of N - Cl at topological distance 12D Atom Pairs
3365B01[N-Br]Presence/absence of N - Br at topological distance 12D Atom Pairs
3366B01[N-I]Presence/absence of N - I at topological distance 12D Atom Pairs
3367B01[N-B]Presence/absence of N - B at topological distance 12D Atom Pairs
3368B01[N-Si]Presence/absence of N - Si at topological distance 12D Atom Pairs
3369B01[N-X]Presence/absence of N - X at topological distance 12D Atom Pairs
3370B01[O-O]Presence/absence of O - O at topological distance 12D Atom Pairs
3371B01[O-S]Presence/absence of O - S at topological distance 12D Atom Pairs
3372B01[O-P]Presence/absence of O - P at topological distance 12D Atom Pairs
3373B01[O-F]Presence/absence of O - F at topological distance 12D Atom Pairs
3374B01[O-Cl]Presence/absence of O - Cl at topological distance 12D Atom Pairs
3375B01[O-Br]Presence/absence of O - Br at topological distance 12D Atom Pairs
3376B01[O-I]Presence/absence of O - I at topological distance 12D Atom Pairs
3377B01[O-B]Presence/absence of O - B at topological distance 12D Atom Pairs
3378B01[O-Si]Presence/absence of O - Si at topological distance 12D Atom Pairs
3379B01[O-X]Presence/absence of O - X at topological distance 12D Atom Pairs
3380B01[S-S]Presence/absence of S - S at topological distance 12D Atom Pairs
3381B01[S-P]Presence/absence of S - P at topological distance 12D Atom Pairs
3382B01[S-F]Presence/absence of S - F at topological distance 12D Atom Pairs
3383B01[S-Cl]Presence/absence of S - Cl at topological distance 12D Atom Pairs
3384B01[S-Br]Presence/absence of S - Br at topological distance 12D Atom Pairs
3385B01[S-I]Presence/absence of S - I at topological distance 12D Atom Pairs
3386B01[S-B]Presence/absence of S - B at topological distance 12D Atom Pairs
3387B01[S-Si]Presence/absence of S - Si at topological distance 12D Atom Pairs
3388B01[S-X]Presence/absence of S - X at topological distance 12D Atom Pairs
3389B01[P-P]Presence/absence of P - P at topological distance 12D Atom Pairs
3390B01[P-F]Presence/absence of P - F at topological distance 12D Atom Pairs
3391B01[P-Cl]Presence/absence of P - Cl at topological distance 12D Atom Pairs
3392B01[P-Br]Presence/absence of P - Br at topological distance 12D Atom Pairs
3393B01[P-I]Presence/absence of P - I at topological distance 12D Atom Pairs
3394B01[P-B]Presence/absence of P - B at topological distance 12D Atom Pairs
3395B01[P-Si]Presence/absence of P - Si at topological distance 12D Atom Pairs
3396B01[P-X]Presence/absence of P - X at topological distance 12D Atom Pairs
3397B01[F-F]Presence/absence of F - F at topological distance 12D Atom Pairs
3398B01[F-Cl]Presence/absence of F - Cl at topological distance 12D Atom Pairs
3399B01[F-Br]Presence/absence of F - Br at topological distance 12D Atom Pairs
3400B01[F-I]Presence/absence of F - I at topological distance 12D Atom Pairs
3401B01[F-B]Presence/absence of F - B at topological distance 12D Atom Pairs
3402B01[F-Si]Presence/absence of F - Si at topological distance 12D Atom Pairs
3403B01[F-X]Presence/absence of F - X at topological distance 12D Atom Pairs
3404B01[Cl-Cl]Presence/absence of Cl - Cl at topological distance 12D Atom Pairs
3405B01[Cl-Br]Presence/absence of Cl - Br at topological distance 12D Atom Pairs
3406B01[Cl-I]Presence/absence of Cl - I at topological distance 12D Atom Pairs
3407B01[Cl-B]Presence/absence of Cl - B at topological distance 12D Atom Pairs
3408B01[Cl-Si]Presence/absence of Cl - Si at topological distance 12D Atom Pairs
3409B01[Cl-X]Presence/absence of Cl - X at topological distance 12D Atom Pairs
3410B01[Br-Br]Presence/absence of Br - Br at topological distance 12D Atom Pairs
3411B01[Br-I]Presence/absence of Br - I at topological distance 12D Atom Pairs
3412B01[Br-B]Presence/absence of Br - B at topological distance 12D Atom Pairs
3413B01[Br-Si]Presence/absence of Br - Si at topological distance 12D Atom Pairs
3414B01[Br-X]Presence/absence of Br - X at topological distance 12D Atom Pairs
3415B01[I-I]Presence/absence of I - I at topological distance 12D Atom Pairs
3416B01[I-B]Presence/absence of I - B at topological distance 12D Atom Pairs
3417B01[I-Si]Presence/absence of I - Si at topological distance 12D Atom Pairs
3418B01[I-X]Presence/absence of I - X at topological distance 12D Atom Pairs
3419B01[B-B]Presence/absence of B - B at topological distance 12D Atom Pairs
3420B01[B-Si]Presence/absence of B - Si at topological distance 12D Atom Pairs
3421B01[B-X]Presence/absence of B - X at topological distance 12D Atom Pairs
3422B01[Si-Si]Presence/absence of Si - Si at topological distance 12D Atom Pairs
3423B01[Si-X]Presence/absence of Si - X at topological distance 12D Atom Pairs
3424B01[X-X]Presence/absence of X - X at topological distance 12D Atom Pairs
3425B02[C-C]Presence/absence of C - C at topological distance 22D Atom Pairs
3426B02[C-N]Presence/absence of C - N at topological distance 22D Atom Pairs
3427B02[C-O]Presence/absence of C - O at topological distance 22D Atom Pairs
3428B02[C-S]Presence/absence of C - S at topological distance 22D Atom Pairs
3429B02[C-P]Presence/absence of C - P at topological distance 22D Atom Pairs
3430B02[C-F]Presence/absence of C - F at topological distance 22D Atom Pairs
3431B02[C-Cl]Presence/absence of C - Cl at topological distance 22D Atom Pairs
3432B02[C-Br]Presence/absence of C - Br at topological distance 22D Atom Pairs
3433B02[C-I]Presence/absence of C - I at topological distance 22D Atom Pairs
3434B02[C-B]Presence/absence of C - B at topological distance 22D Atom Pairs
3435B02[C-Si]Presence/absence of C - Si at topological distance 22D Atom Pairs
3436B02[C-X]Presence/absence of C - X at topological distance 22D Atom Pairs
3437B02[N-N]Presence/absence of N - N at topological distance 22D Atom Pairs
3438B02[N-O]Presence/absence of N - O at topological distance 22D Atom Pairs
3439B02[N-S]Presence/absence of N - S at topological distance 22D Atom Pairs
3440B02[N-P]Presence/absence of N - P at topological distance 22D Atom Pairs
3441B02[N-F]Presence/absence of N - F at topological distance 22D Atom Pairs
3442B02[N-Cl]Presence/absence of N - Cl at topological distance 22D Atom Pairs
3443B02[N-Br]Presence/absence of N - Br at topological distance 22D Atom Pairs
3444B02[N-I]Presence/absence of N - I at topological distance 22D Atom Pairs
3445B02[N-B]Presence/absence of N - B at topological distance 22D Atom Pairs
3446B02[N-Si]Presence/absence of N - Si at topological distance 22D Atom Pairs
3447B02[N-X]Presence/absence of N - X at topological distance 22D Atom Pairs
3448B02[O-O]Presence/absence of O - O at topological distance 22D Atom Pairs
3449B02[O-S]Presence/absence of O - S at topological distance 22D Atom Pairs
3450B02[O-P]Presence/absence of O - P at topological distance 22D Atom Pairs
3451B02[O-F]Presence/absence of O - F at topological distance 22D Atom Pairs
3452B02[O-Cl]Presence/absence of O - Cl at topological distance 22D Atom Pairs
3453B02[O-Br]Presence/absence of O - Br at topological distance 22D Atom Pairs
3454B02[O-I]Presence/absence of O - I at topological distance 22D Atom Pairs
3455B02[O-B]Presence/absence of O - B at topological distance 22D Atom Pairs
3456B02[O-Si]Presence/absence of O - Si at topological distance 22D Atom Pairs
3457B02[O-X]Presence/absence of O - X at topological distance 22D Atom Pairs
3458B02[S-S]Presence/absence of S - S at topological distance 22D Atom Pairs
3459B02[S-P]Presence/absence of S - P at topological distance 22D Atom Pairs
3460B02[S-F]Presence/absence of S - F at topological distance 22D Atom Pairs
3461B02[S-Cl]Presence/absence of S - Cl at topological distance 22D Atom Pairs
3462B02[S-Br]Presence/absence of S - Br at topological distance 22D Atom Pairs
3463B02[S-I]Presence/absence of S - I at topological distance 22D Atom Pairs
3464B02[S-B]Presence/absence of S - B at topological distance 22D Atom Pairs
3465B02[S-Si]Presence/absence of S - Si at topological distance 22D Atom Pairs
3466B02[S-X]Presence/absence of S - X at topological distance 22D Atom Pairs
3467B02[P-P]Presence/absence of P - P at topological distance 22D Atom Pairs
3468B02[P-F]Presence/absence of P - F at topological distance 22D Atom Pairs
3469B02[P-Cl]Presence/absence of P - Cl at topological distance 22D Atom Pairs
3470B02[P-Br]Presence/absence of P - Br at topological distance 22D Atom Pairs
3471B02[P-I]Presence/absence of P - I at topological distance 22D Atom Pairs
3472B02[P-B]Presence/absence of P - B at topological distance 22D Atom Pairs
3473B02[P-Si]Presence/absence of P - Si at topological distance 22D Atom Pairs
3474B02[P-X]Presence/absence of P - X at topological distance 22D Atom Pairs
3475B02[F-F]Presence/absence of F - F at topological distance 22D Atom Pairs
3476B02[F-Cl]Presence/absence of F - Cl at topological distance 22D Atom Pairs
3477B02[F-Br]Presence/absence of F - Br at topological distance 22D Atom Pairs
3478B02[F-I]Presence/absence of F - I at topological distance 22D Atom Pairs
3479B02[F-B]Presence/absence of F - B at topological distance 22D Atom Pairs
3480B02[F-Si]Presence/absence of F - Si at topological distance 22D Atom Pairs
3481B02[F-X]Presence/absence of F - X at topological distance 22D Atom Pairs
3482B02[Cl-Cl]Presence/absence of Cl - Cl at topological distance 22D Atom Pairs
3483B02[Cl-Br]Presence/absence of Cl - Br at topological distance 22D Atom Pairs
3484B02[Cl-I]Presence/absence of Cl - I at topological distance 22D Atom Pairs
3485B02[Cl-B]Presence/absence of Cl - B at topological distance 22D Atom Pairs
3486B02[Cl-Si]Presence/absence of Cl - Si at topological distance 22D Atom Pairs
3487B02[Cl-X]Presence/absence of Cl - X at topological distance 22D Atom Pairs
3488B02[Br-Br]Presence/absence of Br - Br at topological distance 22D Atom Pairs
3489B02[Br-I]Presence/absence of Br - I at topological distance 22D Atom Pairs
3490B02[Br-B]Presence/absence of Br - B at topological distance 22D Atom Pairs
3491B02[Br-Si]Presence/absence of Br - Si at topological distance 22D Atom Pairs
3492B02[Br-X]Presence/absence of Br - X at topological distance 22D Atom Pairs
3493B02[I-I]Presence/absence of I - I at topological distance 22D Atom Pairs
3494B02[I-B]Presence/absence of I - B at topological distance 22D Atom Pairs
3495B02[I-Si]Presence/absence of I - Si at topological distance 22D Atom Pairs
3496B02[I-X]Presence/absence of I - X at topological distance 22D Atom Pairs
3497B02[B-B]Presence/absence of B - B at topological distance 22D Atom Pairs
3498B02[B-Si]Presence/absence of B - Si at topological distance 22D Atom Pairs
3499B02[B-X]Presence/absence of B - X at topological distance 22D Atom Pairs
3500B02[Si-Si]Presence/absence of Si - Si at topological distance 22D Atom Pairs
3501B02[Si-X]Presence/absence of Si - X at topological distance 22D Atom Pairs
3502B02[X-X]Presence/absence of X - X at topological distance 22D Atom Pairs
3503B03[C-C]Presence/absence of C - C at topological distance 32D Atom Pairs
3504B03[C-N]Presence/absence of C - N at topological distance 32D Atom Pairs
3505B03[C-O]Presence/absence of C - O at topological distance 32D Atom Pairs
3506B03[C-S]Presence/absence of C - S at topological distance 32D Atom Pairs
3507B03[C-P]Presence/absence of C - P at topological distance 32D Atom Pairs
3508B03[C-F]Presence/absence of C - F at topological distance 32D Atom Pairs
3509B03[C-Cl]Presence/absence of C - Cl at topological distance 32D Atom Pairs
3510B03[C-Br]Presence/absence of C - Br at topological distance 32D Atom Pairs
3511B03[C-I]Presence/absence of C - I at topological distance 32D Atom Pairs
3512B03[C-B]Presence/absence of C - B at topological distance 32D Atom Pairs
3513B03[C-Si]Presence/absence of C - Si at topological distance 32D Atom Pairs
3514B03[C-X]Presence/absence of C - X at topological distance 32D Atom Pairs
3515B03[N-N]Presence/absence of N - N at topological distance 32D Atom Pairs
3516B03[N-O]Presence/absence of N - O at topological distance 32D Atom Pairs
3517B03[N-S]Presence/absence of N - S at topological distance 32D Atom Pairs
3518B03[N-P]Presence/absence of N - P at topological distance 32D Atom Pairs
3519B03[N-F]Presence/absence of N - F at topological distance 32D Atom Pairs
3520B03[N-Cl]Presence/absence of N - Cl at topological distance 32D Atom Pairs
3521B03[N-Br]Presence/absence of N - Br at topological distance 32D Atom Pairs
3522B03[N-I]Presence/absence of N - I at topological distance 32D Atom Pairs
3523B03[N-B]Presence/absence of N - B at topological distance 32D Atom Pairs
3524B03[N-Si]Presence/absence of N - Si at topological distance 32D Atom Pairs
3525B03[N-X]Presence/absence of N - X at topological distance 32D Atom Pairs
3526B03[O-O]Presence/absence of O - O at topological distance 32D Atom Pairs
3527B03[O-S]Presence/absence of O - S at topological distance 32D Atom Pairs
3528B03[O-P]Presence/absence of O - P at topological distance 32D Atom Pairs
3529B03[O-F]Presence/absence of O - F at topological distance 32D Atom Pairs
3530B03[O-Cl]Presence/absence of O - Cl at topological distance 32D Atom Pairs
3531B03[O-Br]Presence/absence of O - Br at topological distance 32D Atom Pairs
3532B03[O-I]Presence/absence of O - I at topological distance 32D Atom Pairs
3533B03[O-B]Presence/absence of O - B at topological distance 32D Atom Pairs
3534B03[O-Si]Presence/absence of O - Si at topological distance 32D Atom Pairs
3535B03[O-X]Presence/absence of O - X at topological distance 32D Atom Pairs
3536B03[S-S]Presence/absence of S - S at topological distance 32D Atom Pairs
3537B03[S-P]Presence/absence of S - P at topological distance 32D Atom Pairs
3538B03[S-F]Presence/absence of S - F at topological distance 32D Atom Pairs
3539B03[S-Cl]Presence/absence of S - Cl at topological distance 32D Atom Pairs
3540B03[S-Br]Presence/absence of S - Br at topological distance 32D Atom Pairs
3541B03[S-I]Presence/absence of S - I at topological distance 32D Atom Pairs
3542B03[S-B]Presence/absence of S - B at topological distance 32D Atom Pairs
3543B03[S-Si]Presence/absence of S - Si at topological distance 32D Atom Pairs
3544B03[S-X]Presence/absence of S - X at topological distance 32D Atom Pairs
3545B03[P-P]Presence/absence of P - P at topological distance 32D Atom Pairs
3546B03[P-F]Presence/absence of P - F at topological distance 32D Atom Pairs
3547B03[P-Cl]Presence/absence of P - Cl at topological distance 32D Atom Pairs
3548B03[P-Br]Presence/absence of P - Br at topological distance 32D Atom Pairs
3549B03[P-I]Presence/absence of P - I at topological distance 32D Atom Pairs
3550B03[P-B]Presence/absence of P - B at topological distance 32D Atom Pairs
3551B03[P-Si]Presence/absence of P - Si at topological distance 32D Atom Pairs
3552B03[P-X]Presence/absence of P - X at topological distance 32D Atom Pairs
3553B03[F-F]Presence/absence of F - F at topological distance 32D Atom Pairs
3554B03[F-Cl]Presence/absence of F - Cl at topological distance 32D Atom Pairs
3555B03[F-Br]Presence/absence of F - Br at topological distance 32D Atom Pairs
3556B03[F-I]Presence/absence of F - I at topological distance 32D Atom Pairs
3557B03[F-B]Presence/absence of F - B at topological distance 32D Atom Pairs
3558B03[F-Si]Presence/absence of F - Si at topological distance 32D Atom Pairs
3559B03[F-X]Presence/absence of F - X at topological distance 32D Atom Pairs
3560B03[Cl-Cl]Presence/absence of Cl - Cl at topological distance 32D Atom Pairs
3561B03[Cl-Br]Presence/absence of Cl - Br at topological distance 32D Atom Pairs
3562B03[Cl-I]Presence/absence of Cl - I at topological distance 32D Atom Pairs
3563B03[Cl-B]Presence/absence of Cl - B at topological distance 32D Atom Pairs
3564B03[Cl-Si]Presence/absence of Cl - Si at topological distance 32D Atom Pairs
3565B03[Cl-X]Presence/absence of Cl - X at topological distance 32D Atom Pairs
3566B03[Br-Br]Presence/absence of Br - Br at topological distance 32D Atom Pairs
3567B03[Br-I]Presence/absence of Br - I at topological distance 32D Atom Pairs
3568B03[Br-B]Presence/absence of Br - B at topological distance 32D Atom Pairs
3569B03[Br-Si]Presence/absence of Br - Si at topological distance 32D Atom Pairs
3570B03[Br-X]Presence/absence of Br - X at topological distance 32D Atom Pairs
3571B03[I-I]Presence/absence of I - I at topological distance 32D Atom Pairs
3572B03[I-B]Presence/absence of I - B at topological distance 32D Atom Pairs
3573B03[I-Si]Presence/absence of I - Si at topological distance 32D Atom Pairs
3574B03[I-X]Presence/absence of I - X at topological distance 32D Atom Pairs
3575B03[B-B]Presence/absence of B - B at topological distance 32D Atom Pairs
3576B03[B-Si]Presence/absence of B - Si at topological distance 32D Atom Pairs
3577B03[B-X]Presence/absence of B - X at topological distance 32D Atom Pairs
3578B03[Si-Si]Presence/absence of Si - Si at topological distance 32D Atom Pairs
3579B03[Si-X]Presence/absence of Si - X at topological distance 32D Atom Pairs
3580B03[X-X]Presence/absence of X - X at topological distance 32D Atom Pairs
3581B04[C-C]Presence/absence of C - C at topological distance 42D Atom Pairs
3582B04[C-N]Presence/absence of C - N at topological distance 42D Atom Pairs
3583B04[C-O]Presence/absence of C - O at topological distance 42D Atom Pairs
3584B04[C-S]Presence/absence of C - S at topological distance 42D Atom Pairs
3585B04[C-P]Presence/absence of C - P at topological distance 42D Atom Pairs
3586B04[C-F]Presence/absence of C - F at topological distance 42D Atom Pairs
3587B04[C-Cl]Presence/absence of C - Cl at topological distance 42D Atom Pairs
3588B04[C-Br]Presence/absence of C - Br at topological distance 42D Atom Pairs
3589B04[C-I]Presence/absence of C - I at topological distance 42D Atom Pairs
3590B04[C-B]Presence/absence of C - B at topological distance 42D Atom Pairs
3591B04[C-Si]Presence/absence of C - Si at topological distance 42D Atom Pairs
3592B04[C-X]Presence/absence of C - X at topological distance 42D Atom Pairs
3593B04[N-N]Presence/absence of N - N at topological distance 42D Atom Pairs
3594B04[N-O]Presence/absence of N - O at topological distance 42D Atom Pairs
3595B04[N-S]Presence/absence of N - S at topological distance 42D Atom Pairs
3596B04[N-P]Presence/absence of N - P at topological distance 42D Atom Pairs
3597B04[N-F]Presence/absence of N - F at topological distance 42D Atom Pairs
3598B04[N-Cl]Presence/absence of N - Cl at topological distance 42D Atom Pairs
3599B04[N-Br]Presence/absence of N - Br at topological distance 42D Atom Pairs
3600B04[N-I]Presence/absence of N - I at topological distance 42D Atom Pairs
3601B04[N-B]Presence/absence of N - B at topological distance 42D Atom Pairs
3602B04[N-Si]Presence/absence of N - Si at topological distance 42D Atom Pairs
3603B04[N-X]Presence/absence of N - X at topological distance 42D Atom Pairs
3604B04[O-O]Presence/absence of O - O at topological distance 42D Atom Pairs
3605B04[O-S]Presence/absence of O - S at topological distance 42D Atom Pairs
3606B04[O-P]Presence/absence of O - P at topological distance 42D Atom Pairs
3607B04[O-F]Presence/absence of O - F at topological distance 42D Atom Pairs
3608B04[O-Cl]Presence/absence of O - Cl at topological distance 42D Atom Pairs
3609B04[O-Br]Presence/absence of O - Br at topological distance 42D Atom Pairs
3610B04[O-I]Presence/absence of O - I at topological distance 42D Atom Pairs
3611B04[O-B]Presence/absence of O - B at topological distance 42D Atom Pairs
3612B04[O-Si]Presence/absence of O - Si at topological distance 42D Atom Pairs
3613B04[O-X]Presence/absence of O - X at topological distance 42D Atom Pairs
3614B04[S-S]Presence/absence of S - S at topological distance 42D Atom Pairs
3615B04[S-P]Presence/absence of S - P at topological distance 42D Atom Pairs
3616B04[S-F]Presence/absence of S - F at topological distance 42D Atom Pairs
3617B04[S-Cl]Presence/absence of S - Cl at topological distance 42D Atom Pairs
3618B04[S-Br]Presence/absence of S - Br at topological distance 42D Atom Pairs
3619B04[S-I]Presence/absence of S - I at topological distance 42D Atom Pairs
3620B04[S-B]Presence/absence of S - B at topological distance 42D Atom Pairs
3621B04[S-Si]Presence/absence of S - Si at topological distance 42D Atom Pairs
3622B04[S-X]Presence/absence of S - X at topological distance 42D Atom Pairs
3623B04[P-P]Presence/absence of P - P at topological distance 42D Atom Pairs
3624B04[P-F]Presence/absence of P - F at topological distance 42D Atom Pairs
3625B04[P-Cl]Presence/absence of P - Cl at topological distance 42D Atom Pairs
3626B04[P-Br]Presence/absence of P - Br at topological distance 42D Atom Pairs
3627B04[P-I]Presence/absence of P - I at topological distance 42D Atom Pairs
3628B04[P-B]Presence/absence of P - B at topological distance 42D Atom Pairs
3629B04[P-Si]Presence/absence of P - Si at topological distance 42D Atom Pairs
3630B04[P-X]Presence/absence of P - X at topological distance 42D Atom Pairs
3631B04[F-F]Presence/absence of F - F at topological distance 42D Atom Pairs
3632B04[F-Cl]Presence/absence of F - Cl at topological distance 42D Atom Pairs
3633B04[F-Br]Presence/absence of F - Br at topological distance 42D Atom Pairs
3634B04[F-I]Presence/absence of F - I at topological distance 42D Atom Pairs
3635B04[F-B]Presence/absence of F - B at topological distance 42D Atom Pairs
3636B04[F-Si]Presence/absence of F - Si at topological distance 42D Atom Pairs
3637B04[F-X]Presence/absence of F - X at topological distance 42D Atom Pairs
3638B04[Cl-Cl]Presence/absence of Cl - Cl at topological distance 42D Atom Pairs
3639B04[Cl-Br]Presence/absence of Cl - Br at topological distance 42D Atom Pairs
3640B04[Cl-I]Presence/absence of Cl - I at topological distance 42D Atom Pairs
3641B04[Cl-B]Presence/absence of Cl - B at topological distance 42D Atom Pairs
3642B04[Cl-Si]Presence/absence of Cl - Si at topological distance 42D Atom Pairs
3643B04[Cl-X]Presence/absence of Cl - X at topological distance 42D Atom Pairs
3644B04[Br-Br]Presence/absence of Br - Br at topological distance 42D Atom Pairs
3645B04[Br-I]Presence/absence of Br - I at topological distance 42D Atom Pairs
3646B04[Br-B]Presence/absence of Br - B at topological distance 42D Atom Pairs
3647B04[Br-Si]Presence/absence of Br - Si at topological distance 42D Atom Pairs
3648B04[Br-X]Presence/absence of Br - X at topological distance 42D Atom Pairs
3649B04[I-I]Presence/absence of I - I at topological distance 42D Atom Pairs
3650B04[I-B]Presence/absence of I - B at topological distance 42D Atom Pairs
3651B04[I-Si]Presence/absence of I - Si at topological distance 42D Atom Pairs
3652B04[I-X]Presence/absence of I - X at topological distance 42D Atom Pairs
3653B04[B-B]Presence/absence of B - B at topological distance 42D Atom Pairs
3654B04[B-Si]Presence/absence of B - Si at topological distance 42D Atom Pairs
3655B04[B-X]Presence/absence of B - X at topological distance 42D Atom Pairs
3656B04[Si-Si]Presence/absence of Si - Si at topological distance 42D Atom Pairs
3657B04[Si-X]Presence/absence of Si - X at topological distance 42D Atom Pairs
3658B04[X-X]Presence/absence of X - X at topological distance 42D Atom Pairs
3659B05[C-C]Presence/absence of C - C at topological distance 52D Atom Pairs
3660B05[C-N]Presence/absence of C - N at topological distance 52D Atom Pairs
3661B05[C-O]Presence/absence of C - O at topological distance 52D Atom Pairs
3662B05[C-S]Presence/absence of C - S at topological distance 52D Atom Pairs
3663B05[C-P]Presence/absence of C - P at topological distance 52D Atom Pairs
3664B05[C-F]Presence/absence of C - F at topological distance 52D Atom Pairs
3665B05[C-Cl]Presence/absence of C - Cl at topological distance 52D Atom Pairs
3666B05[C-Br]Presence/absence of C - Br at topological distance 52D Atom Pairs
3667B05[C-I]Presence/absence of C - I at topological distance 52D Atom Pairs
3668B05[C-B]Presence/absence of C - B at topological distance 52D Atom Pairs
3669B05[C-Si]Presence/absence of C - Si at topological distance 52D Atom Pairs
3670B05[C-X]Presence/absence of C - X at topological distance 52D Atom Pairs
3671B05[N-N]Presence/absence of N - N at topological distance 52D Atom Pairs
3672B05[N-O]Presence/absence of N - O at topological distance 52D Atom Pairs
3673B05[N-S]Presence/absence of N - S at topological distance 52D Atom Pairs
3674B05[N-P]Presence/absence of N - P at topological distance 52D Atom Pairs
3675B05[N-F]Presence/absence of N - F at topological distance 52D Atom Pairs
3676B05[N-Cl]Presence/absence of N - Cl at topological distance 52D Atom Pairs
3677B05[N-Br]Presence/absence of N - Br at topological distance 52D Atom Pairs
3678B05[N-I]Presence/absence of N - I at topological distance 52D Atom Pairs
3679B05[N-B]Presence/absence of N - B at topological distance 52D Atom Pairs
3680B05[N-Si]Presence/absence of N - Si at topological distance 52D Atom Pairs
3681B05[N-X]Presence/absence of N - X at topological distance 52D Atom Pairs
3682B05[O-O]Presence/absence of O - O at topological distance 52D Atom Pairs
3683B05[O-S]Presence/absence of O - S at topological distance 52D Atom Pairs
3684B05[O-P]Presence/absence of O - P at topological distance 52D Atom Pairs
3685B05[O-F]Presence/absence of O - F at topological distance 52D Atom Pairs
3686B05[O-Cl]Presence/absence of O - Cl at topological distance 52D Atom Pairs
3687B05[O-Br]Presence/absence of O - Br at topological distance 52D Atom Pairs
3688B05[O-I]Presence/absence of O - I at topological distance 52D Atom Pairs
3689B05[O-B]Presence/absence of O - B at topological distance 52D Atom Pairs
3690B05[O-Si]Presence/absence of O - Si at topological distance 52D Atom Pairs
3691B05[O-X]Presence/absence of O - X at topological distance 52D Atom Pairs
3692B05[S-S]Presence/absence of S - S at topological distance 52D Atom Pairs
3693B05[S-P]Presence/absence of S - P at topological distance 52D Atom Pairs
3694B05[S-F]Presence/absence of S - F at topological distance 52D Atom Pairs
3695B05[S-Cl]Presence/absence of S - Cl at topological distance 52D Atom Pairs
3696B05[S-Br]Presence/absence of S - Br at topological distance 52D Atom Pairs
3697B05[S-I]Presence/absence of S - I at topological distance 52D Atom Pairs
3698B05[S-B]Presence/absence of S - B at topological distance 52D Atom Pairs
3699B05[S-Si]Presence/absence of S - Si at topological distance 52D Atom Pairs
3700B05[S-X]Presence/absence of S - X at topological distance 52D Atom Pairs
3701B05[P-P]Presence/absence of P - P at topological distance 52D Atom Pairs
3702B05[P-F]Presence/absence of P - F at topological distance 52D Atom Pairs
3703B05[P-Cl]Presence/absence of P - Cl at topological distance 52D Atom Pairs
3704B05[P-Br]Presence/absence of P - Br at topological distance 52D Atom Pairs
3705B05[P-I]Presence/absence of P - I at topological distance 52D Atom Pairs
3706B05[P-B]Presence/absence of P - B at topological distance 52D Atom Pairs
3707B05[P-Si]Presence/absence of P - Si at topological distance 52D Atom Pairs
3708B05[P-X]Presence/absence of P - X at topological distance 52D Atom Pairs
3709B05[F-F]Presence/absence of F - F at topological distance 52D Atom Pairs
3710B05[F-Cl]Presence/absence of F - Cl at topological distance 52D Atom Pairs
3711B05[F-Br]Presence/absence of F - Br at topological distance 52D Atom Pairs
3712B05[F-I]Presence/absence of F - I at topological distance 52D Atom Pairs
3713B05[F-B]Presence/absence of F - B at topological distance 52D Atom Pairs
3714B05[F-Si]Presence/absence of F - Si at topological distance 52D Atom Pairs
3715B05[F-X]Presence/absence of F - X at topological distance 52D Atom Pairs
3716B05[Cl-Cl]Presence/absence of Cl - Cl at topological distance 52D Atom Pairs
3717B05[Cl-Br]Presence/absence of Cl - Br at topological distance 52D Atom Pairs
3718B05[Cl-I]Presence/absence of Cl - I at topological distance 52D Atom Pairs
3719B05[Cl-B]Presence/absence of Cl - B at topological distance 52D Atom Pairs
3720B05[Cl-Si]Presence/absence of Cl - Si at topological distance 52D Atom Pairs
3721B05[Cl-X]Presence/absence of Cl - X at topological distance 52D Atom Pairs
3722B05[Br-Br]Presence/absence of Br - Br at topological distance 52D Atom Pairs
3723B05[Br-I]Presence/absence of Br - I at topological distance 52D Atom Pairs
3724B05[Br-B]Presence/absence of Br - B at topological distance 52D Atom Pairs
3725B05[Br-Si]Presence/absence of Br - Si at topological distance 52D Atom Pairs
3726B05[Br-X]Presence/absence of Br - X at topological distance 52D Atom Pairs
3727B05[I-I]Presence/absence of I - I at topological distance 52D Atom Pairs
3728B05[I-B]Presence/absence of I - B at topological distance 52D Atom Pairs
3729B05[I-Si]Presence/absence of I - Si at topological distance 52D Atom Pairs
3730B05[I-X]Presence/absence of I - X at topological distance 52D Atom Pairs
3731B05[B-B]Presence/absence of B - B at topological distance 52D Atom Pairs
3732B05[B-Si]Presence/absence of B - Si at topological distance 52D Atom Pairs
3733B05[B-X]Presence/absence of B - X at topological distance 52D Atom Pairs
3734B05[Si-Si]Presence/absence of Si - Si at topological distance 52D Atom Pairs
3735B05[Si-X]Presence/absence of Si - X at topological distance 52D Atom Pairs
3736B05[X-X]Presence/absence of X - X at topological distance 52D Atom Pairs
3737B06[C-C]Presence/absence of C - C at topological distance 62D Atom Pairs
3738B06[C-N]Presence/absence of C - N at topological distance 62D Atom Pairs
3739B06[C-O]Presence/absence of C - O at topological distance 62D Atom Pairs
3740B06[C-S]Presence/absence of C - S at topological distance 62D Atom Pairs
3741B06[C-P]Presence/absence of C - P at topological distance 62D Atom Pairs
3742B06[C-F]Presence/absence of C - F at topological distance 62D Atom Pairs
3743B06[C-Cl]Presence/absence of C - Cl at topological distance 62D Atom Pairs
3744B06[C-Br]Presence/absence of C - Br at topological distance 62D Atom Pairs
3745B06[C-I]Presence/absence of C - I at topological distance 62D Atom Pairs
3746B06[C-B]Presence/absence of C - B at topological distance 62D Atom Pairs
3747B06[C-Si]Presence/absence of C - Si at topological distance 62D Atom Pairs
3748B06[C-X]Presence/absence of C - X at topological distance 62D Atom Pairs
3749B06[N-N]Presence/absence of N - N at topological distance 62D Atom Pairs
3750B06[N-O]Presence/absence of N - O at topological distance 62D Atom Pairs
3751B06[N-S]Presence/absence of N - S at topological distance 62D Atom Pairs
3752B06[N-P]Presence/absence of N - P at topological distance 62D Atom Pairs
3753B06[N-F]Presence/absence of N - F at topological distance 62D Atom Pairs
3754B06[N-Cl]Presence/absence of N - Cl at topological distance 62D Atom Pairs
3755B06[N-Br]Presence/absence of N - Br at topological distance 62D Atom Pairs
3756B06[N-I]Presence/absence of N - I at topological distance 62D Atom Pairs
3757B06[N-B]Presence/absence of N - B at topological distance 62D Atom Pairs
3758B06[N-Si]Presence/absence of N - Si at topological distance 62D Atom Pairs
3759B06[N-X]Presence/absence of N - X at topological distance 62D Atom Pairs
3760B06[O-O]Presence/absence of O - O at topological distance 62D Atom Pairs
3761B06[O-S]Presence/absence of O - S at topological distance 62D Atom Pairs
3762B06[O-P]Presence/absence of O - P at topological distance 62D Atom Pairs
3763B06[O-F]Presence/absence of O - F at topological distance 62D Atom Pairs
3764B06[O-Cl]Presence/absence of O - Cl at topological distance 62D Atom Pairs
3765B06[O-Br]Presence/absence of O - Br at topological distance 62D Atom Pairs
3766B06[O-I]Presence/absence of O - I at topological distance 62D Atom Pairs
3767B06[O-B]Presence/absence of O - B at topological distance 62D Atom Pairs
3768B06[O-Si]Presence/absence of O - Si at topological distance 62D Atom Pairs
3769B06[O-X]Presence/absence of O - X at topological distance 62D Atom Pairs
3770B06[S-S]Presence/absence of S - S at topological distance 62D Atom Pairs
3771B06[S-P]Presence/absence of S - P at topological distance 62D Atom Pairs
3772B06[S-F]Presence/absence of S - F at topological distance 62D Atom Pairs
3773B06[S-Cl]Presence/absence of S - Cl at topological distance 62D Atom Pairs
3774B06[S-Br]Presence/absence of S - Br at topological distance 62D Atom Pairs
3775B06[S-I]Presence/absence of S - I at topological distance 62D Atom Pairs
3776B06[S-B]Presence/absence of S - B at topological distance 62D Atom Pairs
3777B06[S-Si]Presence/absence of S - Si at topological distance 62D Atom Pairs
3778B06[S-X]Presence/absence of S - X at topological distance 62D Atom Pairs
3779B06[P-P]Presence/absence of P - P at topological distance 62D Atom Pairs
3780B06[P-F]Presence/absence of P - F at topological distance 62D Atom Pairs
3781B06[P-Cl]Presence/absence of P - Cl at topological distance 62D Atom Pairs
3782B06[P-Br]Presence/absence of P - Br at topological distance 62D Atom Pairs
3783B06[P-I]Presence/absence of P - I at topological distance 62D Atom Pairs
3784B06[P-B]Presence/absence of P - B at topological distance 62D Atom Pairs
3785B06[P-Si]Presence/absence of P - Si at topological distance 62D Atom Pairs
3786B06[P-X]Presence/absence of P - X at topological distance 62D Atom Pairs
3787B06[F-F]Presence/absence of F - F at topological distance 62D Atom Pairs
3788B06[F-Cl]Presence/absence of F - Cl at topological distance 62D Atom Pairs
3789B06[F-Br]Presence/absence of F - Br at topological distance 62D Atom Pairs
3790B06[F-I]Presence/absence of F - I at topological distance 62D Atom Pairs
3791B06[F-B]Presence/absence of F - B at topological distance 62D Atom Pairs
3792B06[F-Si]Presence/absence of F - Si at topological distance 62D Atom Pairs
3793B06[F-X]Presence/absence of F - X at topological distance 62D Atom Pairs
3794B06[Cl-Cl]Presence/absence of Cl - Cl at topological distance 62D Atom Pairs
3795B06[Cl-Br]Presence/absence of Cl - Br at topological distance 62D Atom Pairs
3796B06[Cl-I]Presence/absence of Cl - I at topological distance 62D Atom Pairs
3797B06[Cl-B]Presence/absence of Cl - B at topological distance 62D Atom Pairs
3798B06[Cl-Si]Presence/absence of Cl - Si at topological distance 62D Atom Pairs
3799B06[Cl-X]Presence/absence of Cl - X at topological distance 62D Atom Pairs
3800B06[Br-Br]Presence/absence of Br - Br at topological distance 62D Atom Pairs
3801B06[Br-I]Presence/absence of Br - I at topological distance 62D Atom Pairs
3802B06[Br-B]Presence/absence of Br - B at topological distance 62D Atom Pairs
3803B06[Br-Si]Presence/absence of Br - Si at topological distance 62D Atom Pairs
3804B06[Br-X]Presence/absence of Br - X at topological distance 62D Atom Pairs
3805B06[I-I]Presence/absence of I - I at topological distance 62D Atom Pairs
3806B06[I-B]Presence/absence of I - B at topological distance 62D Atom Pairs
3807B06[I-Si]Presence/absence of I - Si at topological distance 62D Atom Pairs
3808B06[I-X]Presence/absence of I - X at topological distance 62D Atom Pairs
3809B06[B-B]Presence/absence of B - B at topological distance 62D Atom Pairs
3810B06[B-Si]Presence/absence of B - Si at topological distance 62D Atom Pairs
3811B06[B-X]Presence/absence of B - X at topological distance 62D Atom Pairs
3812B06[Si-Si]Presence/absence of Si - Si at topological distance 62D Atom Pairs
3813B06[Si-X]Presence/absence of Si - X at topological distance 62D Atom Pairs
3814B06[X-X]Presence/absence of X - X at topological distance 62D Atom Pairs
3815B07[C-C]Presence/absence of C - C at topological distance 72D Atom Pairs
3816B07[C-N]Presence/absence of C - N at topological distance 72D Atom Pairs
3817B07[C-O]Presence/absence of C - O at topological distance 72D Atom Pairs
3818B07[C-S]Presence/absence of C - S at topological distance 72D Atom Pairs
3819B07[C-P]Presence/absence of C - P at topological distance 72D Atom Pairs
3820B07[C-F]Presence/absence of C - F at topological distance 72D Atom Pairs
3821B07[C-Cl]Presence/absence of C - Cl at topological distance 72D Atom Pairs
3822B07[C-Br]Presence/absence of C - Br at topological distance 72D Atom Pairs
3823B07[C-I]Presence/absence of C - I at topological distance 72D Atom Pairs
3824B07[C-B]Presence/absence of C - B at topological distance 72D Atom Pairs
3825B07[C-Si]Presence/absence of C - Si at topological distance 72D Atom Pairs
3826B07[C-X]Presence/absence of C - X at topological distance 72D Atom Pairs
3827B07[N-N]Presence/absence of N - N at topological distance 72D Atom Pairs
3828B07[N-O]Presence/absence of N - O at topological distance 72D Atom Pairs
3829B07[N-S]Presence/absence of N - S at topological distance 72D Atom Pairs
3830B07[N-P]Presence/absence of N - P at topological distance 72D Atom Pairs
3831B07[N-F]Presence/absence of N - F at topological distance 72D Atom Pairs
3832B07[N-Cl]Presence/absence of N - Cl at topological distance 72D Atom Pairs
3833B07[N-Br]Presence/absence of N - Br at topological distance 72D Atom Pairs
3834B07[N-I]Presence/absence of N - I at topological distance 72D Atom Pairs
3835B07[N-B]Presence/absence of N - B at topological distance 72D Atom Pairs
3836B07[N-Si]Presence/absence of N - Si at topological distance 72D Atom Pairs
3837B07[N-X]Presence/absence of N - X at topological distance 72D Atom Pairs
3838B07[O-O]Presence/absence of O - O at topological distance 72D Atom Pairs
3839B07[O-S]Presence/absence of O - S at topological distance 72D Atom Pairs
3840B07[O-P]Presence/absence of O - P at topological distance 72D Atom Pairs
3841B07[O-F]Presence/absence of O - F at topological distance 72D Atom Pairs
3842B07[O-Cl]Presence/absence of O - Cl at topological distance 72D Atom Pairs
3843B07[O-Br]Presence/absence of O - Br at topological distance 72D Atom Pairs
3844B07[O-I]Presence/absence of O - I at topological distance 72D Atom Pairs
3845B07[O-B]Presence/absence of O - B at topological distance 72D Atom Pairs
3846B07[O-Si]Presence/absence of O - Si at topological distance 72D Atom Pairs
3847B07[O-X]Presence/absence of O - X at topological distance 72D Atom Pairs
3848B07[S-S]Presence/absence of S - S at topological distance 72D Atom Pairs
3849B07[S-P]Presence/absence of S - P at topological distance 72D Atom Pairs
3850B07[S-F]Presence/absence of S - F at topological distance 72D Atom Pairs
3851B07[S-Cl]Presence/absence of S - Cl at topological distance 72D Atom Pairs
3852B07[S-Br]Presence/absence of S - Br at topological distance 72D Atom Pairs
3853B07[S-I]Presence/absence of S - I at topological distance 72D Atom Pairs
3854B07[S-B]Presence/absence of S - B at topological distance 72D Atom Pairs
3855B07[S-Si]Presence/absence of S - Si at topological distance 72D Atom Pairs
3856B07[S-X]Presence/absence of S - X at topological distance 72D Atom Pairs
3857B07[P-P]Presence/absence of P - P at topological distance 72D Atom Pairs
3858B07[P-F]Presence/absence of P - F at topological distance 72D Atom Pairs
3859B07[P-Cl]Presence/absence of P - Cl at topological distance 72D Atom Pairs
3860B07[P-Br]Presence/absence of P - Br at topological distance 72D Atom Pairs
3861B07[P-I]Presence/absence of P - I at topological distance 72D Atom Pairs
3862B07[P-B]Presence/absence of P - B at topological distance 72D Atom Pairs
3863B07[P-Si]Presence/absence of P - Si at topological distance 72D Atom Pairs
3864B07[P-X]Presence/absence of P - X at topological distance 72D Atom Pairs
3865B07[F-F]Presence/absence of F - F at topological distance 72D Atom Pairs
3866B07[F-Cl]Presence/absence of F - Cl at topological distance 72D Atom Pairs
3867B07[F-Br]Presence/absence of F - Br at topological distance 72D Atom Pairs
3868B07[F-I]Presence/absence of F - I at topological distance 72D Atom Pairs
3869B07[F-B]Presence/absence of F - B at topological distance 72D Atom Pairs
3870B07[F-Si]Presence/absence of F - Si at topological distance 72D Atom Pairs
3871B07[F-X]Presence/absence of F - X at topological distance 72D Atom Pairs
3872B07[Cl-Cl]Presence/absence of Cl - Cl at topological distance 72D Atom Pairs
3873B07[Cl-Br]Presence/absence of Cl - Br at topological distance 72D Atom Pairs
3874B07[Cl-I]Presence/absence of Cl - I at topological distance 72D Atom Pairs
3875B07[Cl-B]Presence/absence of Cl - B at topological distance 72D Atom Pairs
3876B07[Cl-Si]Presence/absence of Cl - Si at topological distance 72D Atom Pairs
3877B07[Cl-X]Presence/absence of Cl - X at topological distance 72D Atom Pairs
3878B07[Br-Br]Presence/absence of Br - Br at topological distance 72D Atom Pairs
3879B07[Br-I]Presence/absence of Br - I at topological distance 72D Atom Pairs
3880B07[Br-B]Presence/absence of Br - B at topological distance 72D Atom Pairs
3881B07[Br-Si]Presence/absence of Br - Si at topological distance 72D Atom Pairs
3882B07[Br-X]Presence/absence of Br - X at topological distance 72D Atom Pairs
3883B07[I-I]Presence/absence of I - I at topological distance 72D Atom Pairs
3884B07[I-B]Presence/absence of I - B at topological distance 72D Atom Pairs
3885B07[I-Si]Presence/absence of I - Si at topological distance 72D Atom Pairs
3886B07[I-X]Presence/absence of I - X at topological distance 72D Atom Pairs
3887B07[B-B]Presence/absence of B - B at topological distance 72D Atom Pairs
3888B07[B-Si]Presence/absence of B - Si at topological distance 72D Atom Pairs
3889B07[B-X]Presence/absence of B - X at topological distance 72D Atom Pairs
3890B07[Si-Si]Presence/absence of Si - Si at topological distance 72D Atom Pairs
3891B07[Si-X]Presence/absence of Si - X at topological distance 72D Atom Pairs
3892B07[X-X]Presence/absence of X - X at topological distance 72D Atom Pairs
3893B08[C-C]Presence/absence of C - C at topological distance 82D Atom Pairs
3894B08[C-N]Presence/absence of C - N at topological distance 82D Atom Pairs
3895B08[C-O]Presence/absence of C - O at topological distance 82D Atom Pairs
3896B08[C-S]Presence/absence of C - S at topological distance 82D Atom Pairs
3897B08[C-P]Presence/absence of C - P at topological distance 82D Atom Pairs
3898B08[C-F]Presence/absence of C - F at topological distance 82D Atom Pairs
3899B08[C-Cl]Presence/absence of C - Cl at topological distance 82D Atom Pairs
3900B08[C-Br]Presence/absence of C - Br at topological distance 82D Atom Pairs
3901B08[C-I]Presence/absence of C - I at topological distance 82D Atom Pairs
3902B08[C-B]Presence/absence of C - B at topological distance 82D Atom Pairs
3903B08[C-Si]Presence/absence of C - Si at topological distance 82D Atom Pairs
3904B08[C-X]Presence/absence of C - X at topological distance 82D Atom Pairs
3905B08[N-N]Presence/absence of N - N at topological distance 82D Atom Pairs
3906B08[N-O]Presence/absence of N - O at topological distance 82D Atom Pairs
3907B08[N-S]Presence/absence of N - S at topological distance 82D Atom Pairs
3908B08[N-P]Presence/absence of N - P at topological distance 82D Atom Pairs
3909B08[N-F]Presence/absence of N - F at topological distance 82D Atom Pairs
3910B08[N-Cl]Presence/absence of N - Cl at topological distance 82D Atom Pairs
3911B08[N-Br]Presence/absence of N - Br at topological distance 82D Atom Pairs
3912B08[N-I]Presence/absence of N - I at topological distance 82D Atom Pairs
3913B08[N-B]Presence/absence of N - B at topological distance 82D Atom Pairs
3914B08[N-Si]Presence/absence of N - Si at topological distance 82D Atom Pairs
3915B08[N-X]Presence/absence of N - X at topological distance 82D Atom Pairs
3916B08[O-O]Presence/absence of O - O at topological distance 82D Atom Pairs
3917B08[O-S]Presence/absence of O - S at topological distance 82D Atom Pairs
3918B08[O-P]Presence/absence of O - P at topological distance 82D Atom Pairs
3919B08[O-F]Presence/absence of O - F at topological distance 82D Atom Pairs
3920B08[O-Cl]Presence/absence of O - Cl at topological distance 82D Atom Pairs
3921B08[O-Br]Presence/absence of O - Br at topological distance 82D Atom Pairs
3922B08[O-I]Presence/absence of O - I at topological distance 82D Atom Pairs
3923B08[O-B]Presence/absence of O - B at topological distance 82D Atom Pairs
3924B08[O-Si]Presence/absence of O - Si at topological distance 82D Atom Pairs
3925B08[O-X]Presence/absence of O - X at topological distance 82D Atom Pairs
3926B08[S-S]Presence/absence of S - S at topological distance 82D Atom Pairs
3927B08[S-P]Presence/absence of S - P at topological distance 82D Atom Pairs
3928B08[S-F]Presence/absence of S - F at topological distance 82D Atom Pairs
3929B08[S-Cl]Presence/absence of S - Cl at topological distance 82D Atom Pairs
3930B08[S-Br]Presence/absence of S - Br at topological distance 82D Atom Pairs
3931B08[S-I]Presence/absence of S - I at topological distance 82D Atom Pairs
3932B08[S-B]Presence/absence of S - B at topological distance 82D Atom Pairs
3933B08[S-Si]Presence/absence of S - Si at topological distance 82D Atom Pairs
3934B08[S-X]Presence/absence of S - X at topological distance 82D Atom Pairs
3935B08[P-P]Presence/absence of P - P at topological distance 82D Atom Pairs
3936B08[P-F]Presence/absence of P - F at topological distance 82D Atom Pairs
3937B08[P-Cl]Presence/absence of P - Cl at topological distance 82D Atom Pairs
3938B08[P-Br]Presence/absence of P - Br at topological distance 82D Atom Pairs
3939B08[P-I]Presence/absence of P - I at topological distance 82D Atom Pairs
3940B08[P-B]Presence/absence of P - B at topological distance 82D Atom Pairs
3941B08[P-Si]Presence/absence of P - Si at topological distance 82D Atom Pairs
3942B08[P-X]Presence/absence of P - X at topological distance 82D Atom Pairs
3943B08[F-F]Presence/absence of F - F at topological distance 82D Atom Pairs
3944B08[F-Cl]Presence/absence of F - Cl at topological distance 82D Atom Pairs
3945B08[F-Br]Presence/absence of F - Br at topological distance 82D Atom Pairs
3946B08[F-I]Presence/absence of F - I at topological distance 82D Atom Pairs
3947B08[F-B]Presence/absence of F - B at topological distance 82D Atom Pairs
3948B08[F-Si]Presence/absence of F - Si at topological distance 82D Atom Pairs
3949B08[F-X]Presence/absence of F - X at topological distance 82D Atom Pairs
3950B08[Cl-Cl]Presence/absence of Cl - Cl at topological distance 82D Atom Pairs
3951B08[Cl-Br]Presence/absence of Cl - Br at topological distance 82D Atom Pairs
3952B08[Cl-I]Presence/absence of Cl - I at topological distance 82D Atom Pairs
3953B08[Cl-B]Presence/absence of Cl - B at topological distance 82D Atom Pairs
3954B08[Cl-Si]Presence/absence of Cl - Si at topological distance 82D Atom Pairs
3955B08[Cl-X]Presence/absence of Cl - X at topological distance 82D Atom Pairs
3956B08[Br-Br]Presence/absence of Br - Br at topological distance 82D Atom Pairs
3957B08[Br-I]Presence/absence of Br - I at topological distance 82D Atom Pairs
3958B08[Br-B]Presence/absence of Br - B at topological distance 82D Atom Pairs
3959B08[Br-Si]Presence/absence of Br - Si at topological distance 82D Atom Pairs
3960B08[Br-X]Presence/absence of Br - X at topological distance 82D Atom Pairs
3961B08[I-I]Presence/absence of I - I at topological distance 82D Atom Pairs
3962B08[I-B]Presence/absence of I - B at topological distance 82D Atom Pairs
3963B08[I-Si]Presence/absence of I - Si at topological distance 82D Atom Pairs
3964B08[I-X]Presence/absence of I - X at topological distance 82D Atom Pairs
3965B08[B-B]Presence/absence of B - B at topological distance 82D Atom Pairs
3966B08[B-Si]Presence/absence of B - Si at topological distance 82D Atom Pairs
3967B08[B-X]Presence/absence of B - X at topological distance 82D Atom Pairs
3968B08[Si-Si]Presence/absence of Si - Si at topological distance 82D Atom Pairs
3969B08[Si-X]Presence/absence of Si - X at topological distance 82D Atom Pairs
3970B08[X-X]Presence/absence of X - X at topological distance 82D Atom Pairs
3971B09[C-C]Presence/absence of C - C at topological distance 92D Atom Pairs
3972B09[C-N]Presence/absence of C - N at topological distance 92D Atom Pairs
3973B09[C-O]Presence/absence of C - O at topological distance 92D Atom Pairs
3974B09[C-S]Presence/absence of C - S at topological distance 92D Atom Pairs
3975B09[C-P]Presence/absence of C - P at topological distance 92D Atom Pairs
3976B09[C-F]Presence/absence of C - F at topological distance 92D Atom Pairs
3977B09[C-Cl]Presence/absence of C - Cl at topological distance 92D Atom Pairs
3978B09[C-Br]Presence/absence of C - Br at topological distance 92D Atom Pairs
3979B09[C-I]Presence/absence of C - I at topological distance 92D Atom Pairs
3980B09[C-B]Presence/absence of C - B at topological distance 92D Atom Pairs
3981B09[C-Si]Presence/absence of C - Si at topological distance 92D Atom Pairs
3982B09[C-X]Presence/absence of C - X at topological distance 92D Atom Pairs
3983B09[N-N]Presence/absence of N - N at topological distance 92D Atom Pairs
3984B09[N-O]Presence/absence of N - O at topological distance 92D Atom Pairs
3985B09[N-S]Presence/absence of N - S at topological distance 92D Atom Pairs
3986B09[N-P]Presence/absence of N - P at topological distance 92D Atom Pairs
3987B09[N-F]Presence/absence of N - F at topological distance 92D Atom Pairs
3988B09[N-Cl]Presence/absence of N - Cl at topological distance 92D Atom Pairs
3989B09[N-Br]Presence/absence of N - Br at topological distance 92D Atom Pairs
3990B09[N-I]Presence/absence of N - I at topological distance 92D Atom Pairs
3991B09[N-B]Presence/absence of N - B at topological distance 92D Atom Pairs
3992B09[N-Si]Presence/absence of N - Si at topological distance 92D Atom Pairs
3993B09[N-X]Presence/absence of N - X at topological distance 92D Atom Pairs
3994B09[O-O]Presence/absence of O - O at topological distance 92D Atom Pairs
3995B09[O-S]Presence/absence of O - S at topological distance 92D Atom Pairs
3996B09[O-P]Presence/absence of O - P at topological distance 92D Atom Pairs
3997B09[O-F]Presence/absence of O - F at topological distance 92D Atom Pairs
3998B09[O-Cl]Presence/absence of O - Cl at topological distance 92D Atom Pairs
3999B09[O-Br]Presence/absence of O - Br at topological distance 92D Atom Pairs
4000B09[O-I]Presence/absence of O - I at topological distance 92D Atom Pairs
4001B09[O-B]Presence/absence of O - B at topological distance 92D Atom Pairs
4002B09[O-Si]Presence/absence of O - Si at topological distance 92D Atom Pairs
4003B09[O-X]Presence/absence of O - X at topological distance 92D Atom Pairs
4004B09[S-S]Presence/absence of S - S at topological distance 92D Atom Pairs
4005B09[S-P]Presence/absence of S - P at topological distance 92D Atom Pairs
4006B09[S-F]Presence/absence of S - F at topological distance 92D Atom Pairs
4007B09[S-Cl]Presence/absence of S - Cl at topological distance 92D Atom Pairs
4008B09[S-Br]Presence/absence of S - Br at topological distance 92D Atom Pairs
4009B09[S-I]Presence/absence of S - I at topological distance 92D Atom Pairs
4010B09[S-B]Presence/absence of S - B at topological distance 92D Atom Pairs
4011B09[S-Si]Presence/absence of S - Si at topological distance 92D Atom Pairs
4012B09[S-X]Presence/absence of S - X at topological distance 92D Atom Pairs
4013B09[P-P]Presence/absence of P - P at topological distance 92D Atom Pairs
4014B09[P-F]Presence/absence of P - F at topological distance 92D Atom Pairs
4015B09[P-Cl]Presence/absence of P - Cl at topological distance 92D Atom Pairs
4016B09[P-Br]Presence/absence of P - Br at topological distance 92D Atom Pairs
4017B09[P-I]Presence/absence of P - I at topological distance 92D Atom Pairs
4018B09[P-B]Presence/absence of P - B at topological distance 92D Atom Pairs
4019B09[P-Si]Presence/absence of P - Si at topological distance 92D Atom Pairs
4020B09[P-X]Presence/absence of P - X at topological distance 92D Atom Pairs
4021B09[F-F]Presence/absence of F - F at topological distance 92D Atom Pairs
4022B09[F-Cl]Presence/absence of F - Cl at topological distance 92D Atom Pairs
4023B09[F-Br]Presence/absence of F - Br at topological distance 92D Atom Pairs
4024B09[F-I]Presence/absence of F - I at topological distance 92D Atom Pairs
4025B09[F-B]Presence/absence of F - B at topological distance 92D Atom Pairs
4026B09[F-Si]Presence/absence of F - Si at topological distance 92D Atom Pairs
4027B09[F-X]Presence/absence of F - X at topological distance 92D Atom Pairs
4028B09[Cl-Cl]Presence/absence of Cl - Cl at topological distance 92D Atom Pairs
4029B09[Cl-Br]Presence/absence of Cl - Br at topological distance 92D Atom Pairs
4030B09[Cl-I]Presence/absence of Cl - I at topological distance 92D Atom Pairs
4031B09[Cl-B]Presence/absence of Cl - B at topological distance 92D Atom Pairs
4032B09[Cl-Si]Presence/absence of Cl - Si at topological distance 92D Atom Pairs
4033B09[Cl-X]Presence/absence of Cl - X at topological distance 92D Atom Pairs
4034B09[Br-Br]Presence/absence of Br - Br at topological distance 92D Atom Pairs
4035B09[Br-I]Presence/absence of Br - I at topological distance 92D Atom Pairs
4036B09[Br-B]Presence/absence of Br - B at topological distance 92D Atom Pairs
4037B09[Br-Si]Presence/absence of Br - Si at topological distance 92D Atom Pairs
4038B09[Br-X]Presence/absence of Br - X at topological distance 92D Atom Pairs
4039B09[I-I]Presence/absence of I - I at topological distance 92D Atom Pairs
4040B09[I-B]Presence/absence of I - B at topological distance 92D Atom Pairs
4041B09[I-Si]Presence/absence of I - Si at topological distance 92D Atom Pairs
4042B09[I-X]Presence/absence of I - X at topological distance 92D Atom Pairs
4043B09[B-B]Presence/absence of B - B at topological distance 92D Atom Pairs
4044B09[B-Si]Presence/absence of B - Si at topological distance 92D Atom Pairs
4045B09[B-X]Presence/absence of B - X at topological distance 92D Atom Pairs
4046B09[Si-Si]Presence/absence of Si - Si at topological distance 92D Atom Pairs
4047B09[Si-X]Presence/absence of Si - X at topological distance 92D Atom Pairs
4048B09[X-X]Presence/absence of X - X at topological distance 92D Atom Pairs
4049B10[C-C]Presence/absence of C - C at topological distance 102D Atom Pairs
4050B10[C-N]Presence/absence of C - N at topological distance 102D Atom Pairs
4051B10[C-O]Presence/absence of C - O at topological distance 102D Atom Pairs
4052B10[C-S]Presence/absence of C - S at topological distance 102D Atom Pairs
4053B10[C-P]Presence/absence of C - P at topological distance 102D Atom Pairs
4054B10[C-F]Presence/absence of C - F at topological distance 102D Atom Pairs
4055B10[C-Cl]Presence/absence of C - Cl at topological distance 102D Atom Pairs
4056B10[C-Br]Presence/absence of C - Br at topological distance 102D Atom Pairs
4057B10[C-I]Presence/absence of C - I at topological distance 102D Atom Pairs
4058B10[C-B]Presence/absence of C - B at topological distance 102D Atom Pairs
4059B10[C-Si]Presence/absence of C - Si at topological distance 102D Atom Pairs
4060B10[C-X]Presence/absence of C - X at topological distance 102D Atom Pairs
4061B10[N-N]Presence/absence of N - N at topological distance 102D Atom Pairs
4062B10[N-O]Presence/absence of N - O at topological distance 102D Atom Pairs
4063B10[N-S]Presence/absence of N - S at topological distance 102D Atom Pairs
4064B10[N-P]Presence/absence of N - P at topological distance 102D Atom Pairs
4065B10[N-F]Presence/absence of N - F at topological distance 102D Atom Pairs
4066B10[N-Cl]Presence/absence of N - Cl at topological distance 102D Atom Pairs
4067B10[N-Br]Presence/absence of N - Br at topological distance 102D Atom Pairs
4068B10[N-I]Presence/absence of N - I at topological distance 102D Atom Pairs
4069B10[N-B]Presence/absence of N - B at topological distance 102D Atom Pairs
4070B10[N-Si]Presence/absence of N - Si at topological distance 102D Atom Pairs
4071B10[N-X]Presence/absence of N - X at topological distance 102D Atom Pairs
4072B10[O-O]Presence/absence of O - O at topological distance 102D Atom Pairs
4073B10[O-S]Presence/absence of O - S at topological distance 102D Atom Pairs
4074B10[O-P]Presence/absence of O - P at topological distance 102D Atom Pairs
4075B10[O-F]Presence/absence of O - F at topological distance 102D Atom Pairs
4076B10[O-Cl]Presence/absence of O - Cl at topological distance 102D Atom Pairs
4077B10[O-Br]Presence/absence of O - Br at topological distance 102D Atom Pairs
4078B10[O-I]Presence/absence of O - I at topological distance 102D Atom Pairs
4079B10[O-B]Presence/absence of O - B at topological distance 102D Atom Pairs
4080B10[O-Si]Presence/absence of O - Si at topological distance 102D Atom Pairs
4081B10[O-X]Presence/absence of O - X at topological distance 102D Atom Pairs
4082B10[S-S]Presence/absence of S - S at topological distance 102D Atom Pairs
4083B10[S-P]Presence/absence of S - P at topological distance 102D Atom Pairs
4084B10[S-F]Presence/absence of S - F at topological distance 102D Atom Pairs
4085B10[S-Cl]Presence/absence of S - Cl at topological distance 102D Atom Pairs
4086B10[S-Br]Presence/absence of S - Br at topological distance 102D Atom Pairs
4087B10[S-I]Presence/absence of S - I at topological distance 102D Atom Pairs
4088B10[S-B]Presence/absence of S - B at topological distance 102D Atom Pairs
4089B10[S-Si]Presence/absence of S - Si at topological distance 102D Atom Pairs
4090B10[S-X]Presence/absence of S - X at topological distance 102D Atom Pairs
4091B10[P-P]Presence/absence of P - P at topological distance 102D Atom Pairs
4092B10[P-F]Presence/absence of P - F at topological distance 102D Atom Pairs
4093B10[P-Cl]Presence/absence of P - Cl at topological distance 102D Atom Pairs
4094B10[P-Br]Presence/absence of P - Br at topological distance 102D Atom Pairs
4095B10[P-I]Presence/absence of P - I at topological distance 102D Atom Pairs
4096B10[P-B]Presence/absence of P - B at topological distance 102D Atom Pairs
4097B10[P-Si]Presence/absence of P - Si at topological distance 102D Atom Pairs
4098B10[P-X]Presence/absence of P - X at topological distance 102D Atom Pairs
4099B10[F-F]Presence/absence of F - F at topological distance 102D Atom Pairs
4100B10[F-Cl]Presence/absence of F - Cl at topological distance 102D Atom Pairs
4101B10[F-Br]Presence/absence of F - Br at topological distance 102D Atom Pairs
4102B10[F-I]Presence/absence of F - I at topological distance 102D Atom Pairs
4103B10[F-B]Presence/absence of F - B at topological distance 102D Atom Pairs
4104B10[F-Si]Presence/absence of F - Si at topological distance 102D Atom Pairs
4105B10[F-X]Presence/absence of F - X at topological distance 102D Atom Pairs
4106B10[Cl-Cl]Presence/absence of Cl - Cl at topological distance 102D Atom Pairs
4107B10[Cl-Br]Presence/absence of Cl - Br at topological distance 102D Atom Pairs
4108B10[Cl-I]Presence/absence of Cl - I at topological distance 102D Atom Pairs
4109B10[Cl-B]Presence/absence of Cl - B at topological distance 102D Atom Pairs
4110B10[Cl-Si]Presence/absence of Cl - Si at topological distance 102D Atom Pairs
4111B10[Cl-X]Presence/absence of Cl - X at topological distance 102D Atom Pairs
4112B10[Br-Br]Presence/absence of Br - Br at topological distance 102D Atom Pairs
4113B10[Br-I]Presence/absence of Br - I at topological distance 102D Atom Pairs
4114B10[Br-B]Presence/absence of Br - B at topological distance 102D Atom Pairs
4115B10[Br-Si]Presence/absence of Br - Si at topological distance 102D Atom Pairs
4116B10[Br-X]Presence/absence of Br - X at topological distance 102D Atom Pairs
4117B10[I-I]Presence/absence of I - I at topological distance 102D Atom Pairs
4118B10[I-B]Presence/absence of I - B at topological distance 102D Atom Pairs
4119B10[I-Si]Presence/absence of I - Si at topological distance 102D Atom Pairs
4120B10[I-X]Presence/absence of I - X at topological distance 102D Atom Pairs
4121B10[B-B]Presence/absence of B - B at topological distance 102D Atom Pairs
4122B10[B-Si]Presence/absence of B - Si at topological distance 102D Atom Pairs
4123B10[B-X]Presence/absence of B - X at topological distance 102D Atom Pairs
4124B10[Si-Si]Presence/absence of Si - Si at topological distance 102D Atom Pairs
4125B10[Si-X]Presence/absence of Si - X at topological distance 102D Atom Pairs
4126B10[X-X]Presence/absence of X - X at topological distance 102D Atom Pairs
4127F01[C-C]Frequency of C - C at topological distance 12D Atom Pairs
4128F01[C-N]Frequency of C - N at topological distance 12D Atom Pairs
4129F01[C-O]Frequency of C - O at topological distance 12D Atom Pairs
4130F01[C-S]Frequency of C - S at topological distance 12D Atom Pairs
4131F01[C-P]Frequency of C - P at topological distance 12D Atom Pairs
4132F01[C-F]Frequency of C - F at topological distance 12D Atom Pairs
4133F01[C-Cl]Frequency of C - Cl at topological distance 12D Atom Pairs
4134F01[C-Br]Frequency of C - Br at topological distance 12D Atom Pairs
4135F01[C-I]Frequency of C - I at topological distance 12D Atom Pairs
4136F01[C-B]Frequency of C - B at topological distance 12D Atom Pairs
4137F01[C-Si]Frequency of C - Si at topological distance 12D Atom Pairs
4138F01[C-X]Frequency of C - X at topological distance 12D Atom Pairs
4139F01[N-N]Frequency of N - N at topological distance 12D Atom Pairs
4140F01[N-O]Frequency of N - O at topological distance 12D Atom Pairs
4141F01[N-S]Frequency of N - S at topological distance 12D Atom Pairs
4142F01[N-P]Frequency of N - P at topological distance 12D Atom Pairs
4143F01[N-F]Frequency of N - F at topological distance 12D Atom Pairs
4144F01[N-Cl]Frequency of N - Cl at topological distance 12D Atom Pairs
4145F01[N-Br]Frequency of N - Br at topological distance 12D Atom Pairs
4146F01[N-I]Frequency of N - I at topological distance 12D Atom Pairs
4147F01[N-B]Frequency of N - B at topological distance 12D Atom Pairs
4148F01[N-Si]Frequency of N - Si at topological distance 12D Atom Pairs
4149F01[N-X]Frequency of N - X at topological distance 12D Atom Pairs
4150F01[O-O]Frequency of O - O at topological distance 12D Atom Pairs
4151F01[O-S]Frequency of O - S at topological distance 12D Atom Pairs
4152F01[O-P]Frequency of O - P at topological distance 12D Atom Pairs
4153F01[O-F]Frequency of O - F at topological distance 12D Atom Pairs
4154F01[O-Cl]Frequency of O - Cl at topological distance 12D Atom Pairs
4155F01[O-Br]Frequency of O - Br at topological distance 12D Atom Pairs
4156F01[O-I]Frequency of O - I at topological distance 12D Atom Pairs
4157F01[O-B]Frequency of O - B at topological distance 12D Atom Pairs
4158F01[O-Si]Frequency of O - Si at topological distance 12D Atom Pairs
4159F01[O-X]Frequency of O - X at topological distance 12D Atom Pairs
4160F01[S-S]Frequency of S - S at topological distance 12D Atom Pairs
4161F01[S-P]Frequency of S - P at topological distance 12D Atom Pairs
4162F01[S-F]Frequency of S - F at topological distance 12D Atom Pairs
4163F01[S-Cl]Frequency of S - Cl at topological distance 12D Atom Pairs
4164F01[S-Br]Frequency of S - Br at topological distance 12D Atom Pairs
4165F01[S-I]Frequency of S - I at topological distance 12D Atom Pairs
4166F01[S-B]Frequency of S - B at topological distance 12D Atom Pairs
4167F01[S-Si]Frequency of S - Si at topological distance 12D Atom Pairs
4168F01[S-X]Frequency of S - X at topological distance 12D Atom Pairs
4169F01[P-P]Frequency of P - P at topological distance 12D Atom Pairs
4170F01[P-F]Frequency of P - F at topological distance 12D Atom Pairs
4171F01[P-Cl]Frequency of P - Cl at topological distance 12D Atom Pairs
4172F01[P-Br]Frequency of P - Br at topological distance 12D Atom Pairs
4173F01[P-I]Frequency of P - I at topological distance 12D Atom Pairs
4174F01[P-B]Frequency of P - B at topological distance 12D Atom Pairs
4175F01[P-Si]Frequency of P - Si at topological distance 12D Atom Pairs
4176F01[P-X]Frequency of P - X at topological distance 12D Atom Pairs
4177F01[F-F]Frequency of F - F at topological distance 12D Atom Pairs
4178F01[F-Cl]Frequency of F - Cl at topological distance 12D Atom Pairs
4179F01[F-Br]Frequency of F - Br at topological distance 12D Atom Pairs
4180F01[F-I]Frequency of F - I at topological distance 12D Atom Pairs
4181F01[F-B]Frequency of F - B at topological distance 12D Atom Pairs
4182F01[F-Si]Frequency of F - Si at topological distance 12D Atom Pairs
4183F01[F-X]Frequency of F - X at topological distance 12D Atom Pairs
4184F01[Cl-Cl]Frequency of Cl - Cl at topological distance 12D Atom Pairs
4185F01[Cl-Br]Frequency of Cl - Br at topological distance 12D Atom Pairs
4186F01[Cl-I]Frequency of Cl - I at topological distance 12D Atom Pairs
4187F01[Cl-B]Frequency of Cl - B at topological distance 12D Atom Pairs
4188F01[Cl-Si]Frequency of Cl - Si at topological distance 12D Atom Pairs
4189F01[Cl-X]Frequency of Cl - X at topological distance 12D Atom Pairs
4190F01[Br-Br]Frequency of Br - Br at topological distance 12D Atom Pairs
4191F01[Br-I]Frequency of Br - I at topological distance 12D Atom Pairs
4192F01[Br-B]Frequency of Br - B at topological distance 12D Atom Pairs
4193F01[Br-Si]Frequency of Br - Si at topological distance 12D Atom Pairs
4194F01[Br-X]Frequency of Br - X at topological distance 12D Atom Pairs
4195F01[I-I]Frequency of I - I at topological distance 12D Atom Pairs
4196F01[I-B]Frequency of I - B at topological distance 12D Atom Pairs
4197F01[I-Si]Frequency of I - Si at topological distance 12D Atom Pairs
4198F01[I-X]Frequency of I - X at topological distance 12D Atom Pairs
4199F01[B-B]Frequency of B - B at topological distance 12D Atom Pairs
4200F01[B-Si]Frequency of B - Si at topological distance 12D Atom Pairs
4201F01[B-X]Frequency of B - X at topological distance 12D Atom Pairs
4202F01[Si-Si]Frequency of Si - Si at topological distance 12D Atom Pairs
4203F01[Si-X]Frequency of Si - X at topological distance 12D Atom Pairs
4204F01[X-X]Frequency of X - X at topological distance 12D Atom Pairs
4205F02[C-C]Frequency of C - C at topological distance 22D Atom Pairs
4206F02[C-N]Frequency of C - N at topological distance 22D Atom Pairs
4207F02[C-O]Frequency of C - O at topological distance 22D Atom Pairs
4208F02[C-S]Frequency of C - S at topological distance 22D Atom Pairs
4209F02[C-P]Frequency of C - P at topological distance 22D Atom Pairs
4210F02[C-F]Frequency of C - F at topological distance 22D Atom Pairs
4211F02[C-Cl]Frequency of C - Cl at topological distance 22D Atom Pairs
4212F02[C-Br]Frequency of C - Br at topological distance 22D Atom Pairs
4213F02[C-I]Frequency of C - I at topological distance 22D Atom Pairs
4214F02[C-B]Frequency of C - B at topological distance 22D Atom Pairs
4215F02[C-Si]Frequency of C - Si at topological distance 22D Atom Pairs
4216F02[C-X]Frequency of C - X at topological distance 22D Atom Pairs
4217F02[N-N]Frequency of N - N at topological distance 22D Atom Pairs
4218F02[N-O]Frequency of N - O at topological distance 22D Atom Pairs
4219F02[N-S]Frequency of N - S at topological distance 22D Atom Pairs
4220F02[N-P]Frequency of N - P at topological distance 22D Atom Pairs
4221F02[N-F]Frequency of N - F at topological distance 22D Atom Pairs
4222F02[N-Cl]Frequency of N - Cl at topological distance 22D Atom Pairs
4223F02[N-Br]Frequency of N - Br at topological distance 22D Atom Pairs
4224F02[N-I]Frequency of N - I at topological distance 22D Atom Pairs
4225F02[N-B]Frequency of N - B at topological distance 22D Atom Pairs
4226F02[N-Si]Frequency of N - Si at topological distance 22D Atom Pairs
4227F02[N-X]Frequency of N - X at topological distance 22D Atom Pairs
4228F02[O-O]Frequency of O - O at topological distance 22D Atom Pairs
4229F02[O-S]Frequency of O - S at topological distance 22D Atom Pairs
4230F02[O-P]Frequency of O - P at topological distance 22D Atom Pairs
4231F02[O-F]Frequency of O - F at topological distance 22D Atom Pairs
4232F02[O-Cl]Frequency of O - Cl at topological distance 22D Atom Pairs
4233F02[O-Br]Frequency of O - Br at topological distance 22D Atom Pairs
4234F02[O-I]Frequency of O - I at topological distance 22D Atom Pairs
4235F02[O-B]Frequency of O - B at topological distance 22D Atom Pairs
4236F02[O-Si]Frequency of O - Si at topological distance 22D Atom Pairs
4237F02[O-X]Frequency of O - X at topological distance 22D Atom Pairs
4238F02[S-S]Frequency of S - S at topological distance 22D Atom Pairs
4239F02[S-P]Frequency of S - P at topological distance 22D Atom Pairs
4240F02[S-F]Frequency of S - F at topological distance 22D Atom Pairs
4241F02[S-Cl]Frequency of S - Cl at topological distance 22D Atom Pairs
4242F02[S-Br]Frequency of S - Br at topological distance 22D Atom Pairs
4243F02[S-I]Frequency of S - I at topological distance 22D Atom Pairs
4244F02[S-B]Frequency of S - B at topological distance 22D Atom Pairs
4245F02[S-Si]Frequency of S - Si at topological distance 22D Atom Pairs
4246F02[S-X]Frequency of S - X at topological distance 22D Atom Pairs
4247F02[P-P]Frequency of P - P at topological distance 22D Atom Pairs
4248F02[P-F]Frequency of P - F at topological distance 22D Atom Pairs
4249F02[P-Cl]Frequency of P - Cl at topological distance 22D Atom Pairs
4250F02[P-Br]Frequency of P - Br at topological distance 22D Atom Pairs
4251F02[P-I]Frequency of P - I at topological distance 22D Atom Pairs
4252F02[P-B]Frequency of P - B at topological distance 22D Atom Pairs
4253F02[P-Si]Frequency of P - Si at topological distance 22D Atom Pairs
4254F02[P-X]Frequency of P - X at topological distance 22D Atom Pairs
4255F02[F-F]Frequency of F - F at topological distance 22D Atom Pairs
4256F02[F-Cl]Frequency of F - Cl at topological distance 22D Atom Pairs
4257F02[F-Br]Frequency of F - Br at topological distance 22D Atom Pairs
4258F02[F-I]Frequency of F - I at topological distance 22D Atom Pairs
4259F02[F-B]Frequency of F - B at topological distance 22D Atom Pairs
4260F02[F-Si]Frequency of F - Si at topological distance 22D Atom Pairs
4261F02[F-X]Frequency of F - X at topological distance 22D Atom Pairs
4262F02[Cl-Cl]Frequency of Cl - Cl at topological distance 22D Atom Pairs
4263F02[Cl-Br]Frequency of Cl - Br at topological distance 22D Atom Pairs
4264F02[Cl-I]Frequency of Cl - I at topological distance 22D Atom Pairs
4265F02[Cl-B]Frequency of Cl - B at topological distance 22D Atom Pairs
4266F02[Cl-Si]Frequency of Cl - Si at topological distance 22D Atom Pairs
4267F02[Cl-X]Frequency of Cl - X at topological distance 22D Atom Pairs
4268F02[Br-Br]Frequency of Br - Br at topological distance 22D Atom Pairs
4269F02[Br-I]Frequency of Br - I at topological distance 22D Atom Pairs
4270F02[Br-B]Frequency of Br - B at topological distance 22D Atom Pairs
4271F02[Br-Si]Frequency of Br - Si at topological distance 22D Atom Pairs
4272F02[Br-X]Frequency of Br - X at topological distance 22D Atom Pairs
4273F02[I-I]Frequency of I - I at topological distance 22D Atom Pairs
4274F02[I-B]Frequency of I - B at topological distance 22D Atom Pairs
4275F02[I-Si]Frequency of I - Si at topological distance 22D Atom Pairs
4276F02[I-X]Frequency of I - X at topological distance 22D Atom Pairs
4277F02[B-B]Frequency of B - B at topological distance 22D Atom Pairs
4278F02[B-Si]Frequency of B - Si at topological distance 22D Atom Pairs
4279F02[B-X]Frequency of B - X at topological distance 22D Atom Pairs
4280F02[Si-Si]Frequency of Si - Si at topological distance 22D Atom Pairs
4281F02[Si-X]Frequency of Si - X at topological distance 22D Atom Pairs
4282F02[X-X]Frequency of X - X at topological distance 22D Atom Pairs
4283F03[C-C]Frequency of C - C at topological distance 32D Atom Pairs
4284F03[C-N]Frequency of C - N at topological distance 32D Atom Pairs
4285F03[C-O]Frequency of C - O at topological distance 32D Atom Pairs
4286F03[C-S]Frequency of C - S at topological distance 32D Atom Pairs
4287F03[C-P]Frequency of C - P at topological distance 32D Atom Pairs
4288F03[C-F]Frequency of C - F at topological distance 32D Atom Pairs
4289F03[C-Cl]Frequency of C - Cl at topological distance 32D Atom Pairs
4290F03[C-Br]Frequency of C - Br at topological distance 32D Atom Pairs
4291F03[C-I]Frequency of C - I at topological distance 32D Atom Pairs
4292F03[C-B]Frequency of C - B at topological distance 32D Atom Pairs
4293F03[C-Si]Frequency of C - Si at topological distance 32D Atom Pairs
4294F03[C-X]Frequency of C - X at topological distance 32D Atom Pairs
4295F03[N-N]Frequency of N - N at topological distance 32D Atom Pairs
4296F03[N-O]Frequency of N - O at topological distance 32D Atom Pairs
4297F03[N-S]Frequency of N - S at topological distance 32D Atom Pairs
4298F03[N-P]Frequency of N - P at topological distance 32D Atom Pairs
4299F03[N-F]Frequency of N - F at topological distance 32D Atom Pairs
4300F03[N-Cl]Frequency of N - Cl at topological distance 32D Atom Pairs
4301F03[N-Br]Frequency of N - Br at topological distance 32D Atom Pairs
4302F03[N-I]Frequency of N - I at topological distance 32D Atom Pairs
4303F03[N-B]Frequency of N - B at topological distance 32D Atom Pairs
4304F03[N-Si]Frequency of N - Si at topological distance 32D Atom Pairs
4305F03[N-X]Frequency of N - X at topological distance 32D Atom Pairs
4306F03[O-O]Frequency of O - O at topological distance 32D Atom Pairs
4307F03[O-S]Frequency of O - S at topological distance 32D Atom Pairs
4308F03[O-P]Frequency of O - P at topological distance 32D Atom Pairs
4309F03[O-F]Frequency of O - F at topological distance 32D Atom Pairs
4310F03[O-Cl]Frequency of O - Cl at topological distance 32D Atom Pairs
4311F03[O-Br]Frequency of O - Br at topological distance 32D Atom Pairs
4312F03[O-I]Frequency of O - I at topological distance 32D Atom Pairs
4313F03[O-B]Frequency of O - B at topological distance 32D Atom Pairs
4314F03[O-Si]Frequency of O - Si at topological distance 32D Atom Pairs
4315F03[O-X]Frequency of O - X at topological distance 32D Atom Pairs
4316F03[S-S]Frequency of S - S at topological distance 32D Atom Pairs
4317F03[S-P]Frequency of S - P at topological distance 32D Atom Pairs
4318F03[S-F]Frequency of S - F at topological distance 32D Atom Pairs
4319F03[S-Cl]Frequency of S - Cl at topological distance 32D Atom Pairs
4320F03[S-Br]Frequency of S - Br at topological distance 32D Atom Pairs
4321F03[S-I]Frequency of S - I at topological distance 32D Atom Pairs
4322F03[S-B]Frequency of S - B at topological distance 32D Atom Pairs
4323F03[S-Si]Frequency of S - Si at topological distance 32D Atom Pairs
4324F03[S-X]Frequency of S - X at topological distance 32D Atom Pairs
4325F03[P-P]Frequency of P - P at topological distance 32D Atom Pairs
4326F03[P-F]Frequency of P - F at topological distance 32D Atom Pairs
4327F03[P-Cl]Frequency of P - Cl at topological distance 32D Atom Pairs
4328F03[P-Br]Frequency of P - Br at topological distance 32D Atom Pairs
4329F03[P-I]Frequency of P - I at topological distance 32D Atom Pairs
4330F03[P-B]Frequency of P - B at topological distance 32D Atom Pairs
4331F03[P-Si]Frequency of P - Si at topological distance 32D Atom Pairs
4332F03[P-X]Frequency of P - X at topological distance 32D Atom Pairs
4333F03[F-F]Frequency of F - F at topological distance 32D Atom Pairs
4334F03[F-Cl]Frequency of F - Cl at topological distance 32D Atom Pairs
4335F03[F-Br]Frequency of F - Br at topological distance 32D Atom Pairs
4336F03[F-I]Frequency of F - I at topological distance 32D Atom Pairs
4337F03[F-B]Frequency of F - B at topological distance 32D Atom Pairs
4338F03[F-Si]Frequency of F - Si at topological distance 32D Atom Pairs
4339F03[F-X]Frequency of F - X at topological distance 32D Atom Pairs
4340F03[Cl-Cl]Frequency of Cl - Cl at topological distance 32D Atom Pairs
4341F03[Cl-Br]Frequency of Cl - Br at topological distance 32D Atom Pairs
4342F03[Cl-I]Frequency of Cl - I at topological distance 32D Atom Pairs
4343F03[Cl-B]Frequency of Cl - B at topological distance 32D Atom Pairs
4344F03[Cl-Si]Frequency of Cl - Si at topological distance 32D Atom Pairs
4345F03[Cl-X]Frequency of Cl - X at topological distance 32D Atom Pairs
4346F03[Br-Br]Frequency of Br - Br at topological distance 32D Atom Pairs
4347F03[Br-I]Frequency of Br - I at topological distance 32D Atom Pairs
4348F03[Br-B]Frequency of Br - B at topological distance 32D Atom Pairs
4349F03[Br-Si]Frequency of Br - Si at topological distance 32D Atom Pairs
4350F03[Br-X]Frequency of Br - X at topological distance 32D Atom Pairs
4351F03[I-I]Frequency of I - I at topological distance 32D Atom Pairs
4352F03[I-B]Frequency of I - B at topological distance 32D Atom Pairs
4353F03[I-Si]Frequency of I - Si at topological distance 32D Atom Pairs
4354F03[I-X]Frequency of I - X at topological distance 32D Atom Pairs
4355F03[B-B]Frequency of B - B at topological distance 32D Atom Pairs
4356F03[B-Si]Frequency of B - Si at topological distance 32D Atom Pairs
4357F03[B-X]Frequency of B - X at topological distance 32D Atom Pairs
4358F03[Si-Si]Frequency of Si - Si at topological distance 32D Atom Pairs
4359F03[Si-X]Frequency of Si - X at topological distance 32D Atom Pairs
4360F03[X-X]Frequency of X - X at topological distance 32D Atom Pairs
4361F04[C-C]Frequency of C - C at topological distance 42D Atom Pairs
4362F04[C-N]Frequency of C - N at topological distance 42D Atom Pairs
4363F04[C-O]Frequency of C - O at topological distance 42D Atom Pairs
4364F04[C-S]Frequency of C - S at topological distance 42D Atom Pairs
4365F04[C-P]Frequency of C - P at topological distance 42D Atom Pairs
4366F04[C-F]Frequency of C - F at topological distance 42D Atom Pairs
4367F04[C-Cl]Frequency of C - Cl at topological distance 42D Atom Pairs
4368F04[C-Br]Frequency of C - Br at topological distance 42D Atom Pairs
4369F04[C-I]Frequency of C - I at topological distance 42D Atom Pairs
4370F04[C-B]Frequency of C - B at topological distance 42D Atom Pairs
4371F04[C-Si]Frequency of C - Si at topological distance 42D Atom Pairs
4372F04[C-X]Frequency of C - X at topological distance 42D Atom Pairs
4373F04[N-N]Frequency of N - N at topological distance 42D Atom Pairs
4374F04[N-O]Frequency of N - O at topological distance 42D Atom Pairs
4375F04[N-S]Frequency of N - S at topological distance 42D Atom Pairs
4376F04[N-P]Frequency of N - P at topological distance 42D Atom Pairs
4377F04[N-F]Frequency of N - F at topological distance 42D Atom Pairs
4378F04[N-Cl]Frequency of N - Cl at topological distance 42D Atom Pairs
4379F04[N-Br]Frequency of N - Br at topological distance 42D Atom Pairs
4380F04[N-I]Frequency of N - I at topological distance 42D Atom Pairs
4381F04[N-B]Frequency of N - B at topological distance 42D Atom Pairs
4382F04[N-Si]Frequency of N - Si at topological distance 42D Atom Pairs
4383F04[N-X]Frequency of N - X at topological distance 42D Atom Pairs
4384F04[O-O]Frequency of O - O at topological distance 42D Atom Pairs
4385F04[O-S]Frequency of O - S at topological distance 42D Atom Pairs
4386F04[O-P]Frequency of O - P at topological distance 42D Atom Pairs
4387F04[O-F]Frequency of O - F at topological distance 42D Atom Pairs
4388F04[O-Cl]Frequency of O - Cl at topological distance 42D Atom Pairs
4389F04[O-Br]Frequency of O - Br at topological distance 42D Atom Pairs
4390F04[O-I]Frequency of O - I at topological distance 42D Atom Pairs
4391F04[O-B]Frequency of O - B at topological distance 42D Atom Pairs
4392F04[O-Si]Frequency of O - Si at topological distance 42D Atom Pairs
4393F04[O-X]Frequency of O - X at topological distance 42D Atom Pairs
4394F04[S-S]Frequency of S - S at topological distance 42D Atom Pairs
4395F04[S-P]Frequency of S - P at topological distance 42D Atom Pairs
4396F04[S-F]Frequency of S - F at topological distance 42D Atom Pairs
4397F04[S-Cl]Frequency of S - Cl at topological distance 42D Atom Pairs
4398F04[S-Br]Frequency of S - Br at topological distance 42D Atom Pairs
4399F04[S-I]Frequency of S - I at topological distance 42D Atom Pairs
4400F04[S-B]Frequency of S - B at topological distance 42D Atom Pairs
4401F04[S-Si]Frequency of S - Si at topological distance 42D Atom Pairs
4402F04[S-X]Frequency of S - X at topological distance 42D Atom Pairs
4403F04[P-P]Frequency of P - P at topological distance 42D Atom Pairs
4404F04[P-F]Frequency of P - F at topological distance 42D Atom Pairs
4405F04[P-Cl]Frequency of P - Cl at topological distance 42D Atom Pairs
4406F04[P-Br]Frequency of P - Br at topological distance 42D Atom Pairs
4407F04[P-I]Frequency of P - I at topological distance 42D Atom Pairs
4408F04[P-B]Frequency of P - B at topological distance 42D Atom Pairs
4409F04[P-Si]Frequency of P - Si at topological distance 42D Atom Pairs
4410F04[P-X]Frequency of P - X at topological distance 42D Atom Pairs
4411F04[F-F]Frequency of F - F at topological distance 42D Atom Pairs
4412F04[F-Cl]Frequency of F - Cl at topological distance 42D Atom Pairs
4413F04[F-Br]Frequency of F - Br at topological distance 42D Atom Pairs
4414F04[F-I]Frequency of F - I at topological distance 42D Atom Pairs
4415F04[F-B]Frequency of F - B at topological distance 42D Atom Pairs
4416F04[F-Si]Frequency of F - Si at topological distance 42D Atom Pairs
4417F04[F-X]Frequency of F - X at topological distance 42D Atom Pairs
4418F04[Cl-Cl]Frequency of Cl - Cl at topological distance 42D Atom Pairs
4419F04[Cl-Br]Frequency of Cl - Br at topological distance 42D Atom Pairs
4420F04[Cl-I]Frequency of Cl - I at topological distance 42D Atom Pairs
4421F04[Cl-B]Frequency of Cl - B at topological distance 42D Atom Pairs
4422F04[Cl-Si]Frequency of Cl - Si at topological distance 42D Atom Pairs
4423F04[Cl-X]Frequency of Cl - X at topological distance 42D Atom Pairs
4424F04[Br-Br]Frequency of Br - Br at topological distance 42D Atom Pairs
4425F04[Br-I]Frequency of Br - I at topological distance 42D Atom Pairs
4426F04[Br-B]Frequency of Br - B at topological distance 42D Atom Pairs
4427F04[Br-Si]Frequency of Br - Si at topological distance 42D Atom Pairs
4428F04[Br-X]Frequency of Br - X at topological distance 42D Atom Pairs
4429F04[I-I]Frequency of I - I at topological distance 42D Atom Pairs
4430F04[I-B]Frequency of I - B at topological distance 42D Atom Pairs
4431F04[I-Si]Frequency of I - Si at topological distance 42D Atom Pairs
4432F04[I-X]Frequency of I - X at topological distance 42D Atom Pairs
4433F04[B-B]Frequency of B - B at topological distance 42D Atom Pairs
4434F04[B-Si]Frequency of B - Si at topological distance 42D Atom Pairs
4435F04[B-X]Frequency of B - X at topological distance 42D Atom Pairs
4436F04[Si-Si]Frequency of Si - Si at topological distance 42D Atom Pairs
4437F04[Si-X]Frequency of Si - X at topological distance 42D Atom Pairs
4438F04[X-X]Frequency of X - X at topological distance 42D Atom Pairs
4439F05[C-C]Frequency of C - C at topological distance 52D Atom Pairs
4440F05[C-N]Frequency of C - N at topological distance 52D Atom Pairs
4441F05[C-O]Frequency of C - O at topological distance 52D Atom Pairs
4442F05[C-S]Frequency of C - S at topological distance 52D Atom Pairs
4443F05[C-P]Frequency of C - P at topological distance 52D Atom Pairs
4444F05[C-F]Frequency of C - F at topological distance 52D Atom Pairs
4445F05[C-Cl]Frequency of C - Cl at topological distance 52D Atom Pairs
4446F05[C-Br]Frequency of C - Br at topological distance 52D Atom Pairs
4447F05[C-I]Frequency of C - I at topological distance 52D Atom Pairs
4448F05[C-B]Frequency of C - B at topological distance 52D Atom Pairs
4449F05[C-Si]Frequency of C - Si at topological distance 52D Atom Pairs
4450F05[C-X]Frequency of C - X at topological distance 52D Atom Pairs
4451F05[N-N]Frequency of N - N at topological distance 52D Atom Pairs
4452F05[N-O]Frequency of N - O at topological distance 52D Atom Pairs
4453F05[N-S]Frequency of N - S at topological distance 52D Atom Pairs
4454F05[N-P]Frequency of N - P at topological distance 52D Atom Pairs
4455F05[N-F]Frequency of N - F at topological distance 52D Atom Pairs
4456F05[N-Cl]Frequency of N - Cl at topological distance 52D Atom Pairs
4457F05[N-Br]Frequency of N - Br at topological distance 52D Atom Pairs
4458F05[N-I]Frequency of N - I at topological distance 52D Atom Pairs
4459F05[N-B]Frequency of N - B at topological distance 52D Atom Pairs
4460F05[N-Si]Frequency of N - Si at topological distance 52D Atom Pairs
4461F05[N-X]Frequency of N - X at topological distance 52D Atom Pairs
4462F05[O-O]Frequency of O - O at topological distance 52D Atom Pairs
4463F05[O-S]Frequency of O - S at topological distance 52D Atom Pairs
4464F05[O-P]Frequency of O - P at topological distance 52D Atom Pairs
4465F05[O-F]Frequency of O - F at topological distance 52D Atom Pairs
4466F05[O-Cl]Frequency of O - Cl at topological distance 52D Atom Pairs
4467F05[O-Br]Frequency of O - Br at topological distance 52D Atom Pairs
4468F05[O-I]Frequency of O - I at topological distance 52D Atom Pairs
4469F05[O-B]Frequency of O - B at topological distance 52D Atom Pairs
4470F05[O-Si]Frequency of O - Si at topological distance 52D Atom Pairs
4471F05[O-X]Frequency of O - X at topological distance 52D Atom Pairs
4472F05[S-S]Frequency of S - S at topological distance 52D Atom Pairs
4473F05[S-P]Frequency of S - P at topological distance 52D Atom Pairs
4474F05[S-F]Frequency of S - F at topological distance 52D Atom Pairs
4475F05[S-Cl]Frequency of S - Cl at topological distance 52D Atom Pairs
4476F05[S-Br]Frequency of S - Br at topological distance 52D Atom Pairs
4477F05[S-I]Frequency of S - I at topological distance 52D Atom Pairs
4478F05[S-B]Frequency of S - B at topological distance 52D Atom Pairs
4479F05[S-Si]Frequency of S - Si at topological distance 52D Atom Pairs
4480F05[S-X]Frequency of S - X at topological distance 52D Atom Pairs
4481F05[P-P]Frequency of P - P at topological distance 52D Atom Pairs
4482F05[P-F]Frequency of P - F at topological distance 52D Atom Pairs
4483F05[P-Cl]Frequency of P - Cl at topological distance 52D Atom Pairs
4484F05[P-Br]Frequency of P - Br at topological distance 52D Atom Pairs
4485F05[P-I]Frequency of P - I at topological distance 52D Atom Pairs
4486F05[P-B]Frequency of P - B at topological distance 52D Atom Pairs
4487F05[P-Si]Frequency of P - Si at topological distance 52D Atom Pairs
4488F05[P-X]Frequency of P - X at topological distance 52D Atom Pairs
4489F05[F-F]Frequency of F - F at topological distance 52D Atom Pairs
4490F05[F-Cl]Frequency of F - Cl at topological distance 52D Atom Pairs
4491F05[F-Br]Frequency of F - Br at topological distance 52D Atom Pairs
4492F05[F-I]Frequency of F - I at topological distance 52D Atom Pairs
4493F05[F-B]Frequency of F - B at topological distance 52D Atom Pairs
4494F05[F-Si]Frequency of F - Si at topological distance 52D Atom Pairs
4495F05[F-X]Frequency of F - X at topological distance 52D Atom Pairs
4496F05[Cl-Cl]Frequency of Cl - Cl at topological distance 52D Atom Pairs
4497F05[Cl-Br]Frequency of Cl - Br at topological distance 52D Atom Pairs
4498F05[Cl-I]Frequency of Cl - I at topological distance 52D Atom Pairs
4499F05[Cl-B]Frequency of Cl - B at topological distance 52D Atom Pairs
4500F05[Cl-Si]Frequency of Cl - Si at topological distance 52D Atom Pairs
4501F05[Cl-X]Frequency of Cl - X at topological distance 52D Atom Pairs
4502F05[Br-Br]Frequency of Br - Br at topological distance 52D Atom Pairs
4503F05[Br-I]Frequency of Br - I at topological distance 52D Atom Pairs
4504F05[Br-B]Frequency of Br - B at topological distance 52D Atom Pairs
4505F05[Br-Si]Frequency of Br - Si at topological distance 52D Atom Pairs
4506F05[Br-X]Frequency of Br - X at topological distance 52D Atom Pairs
4507F05[I-I]Frequency of I - I at topological distance 52D Atom Pairs
4508F05[I-B]Frequency of I - B at topological distance 52D Atom Pairs
4509F05[I-Si]Frequency of I - Si at topological distance 52D Atom Pairs
4510F05[I-X]Frequency of I - X at topological distance 52D Atom Pairs
4511F05[B-B]Frequency of B - B at topological distance 52D Atom Pairs
4512F05[B-Si]Frequency of B - Si at topological distance 52D Atom Pairs
4513F05[B-X]Frequency of B - X at topological distance 52D Atom Pairs
4514F05[Si-Si]Frequency of Si - Si at topological distance 52D Atom Pairs
4515F05[Si-X]Frequency of Si - X at topological distance 52D Atom Pairs
4516F05[X-X]Frequency of X - X at topological distance 52D Atom Pairs
4517F06[C-C]Frequency of C - C at topological distance 62D Atom Pairs
4518F06[C-N]Frequency of C - N at topological distance 62D Atom Pairs
4519F06[C-O]Frequency of C - O at topological distance 62D Atom Pairs
4520F06[C-S]Frequency of C - S at topological distance 62D Atom Pairs
4521F06[C-P]Frequency of C - P at topological distance 62D Atom Pairs
4522F06[C-F]Frequency of C - F at topological distance 62D Atom Pairs
4523F06[C-Cl]Frequency of C - Cl at topological distance 62D Atom Pairs
4524F06[C-Br]Frequency of C - Br at topological distance 62D Atom Pairs
4525F06[C-I]Frequency of C - I at topological distance 62D Atom Pairs
4526F06[C-B]Frequency of C - B at topological distance 62D Atom Pairs
4527F06[C-Si]Frequency of C - Si at topological distance 62D Atom Pairs
4528F06[C-X]Frequency of C - X at topological distance 62D Atom Pairs
4529F06[N-N]Frequency of N - N at topological distance 62D Atom Pairs
4530F06[N-O]Frequency of N - O at topological distance 62D Atom Pairs
4531F06[N-S]Frequency of N - S at topological distance 62D Atom Pairs
4532F06[N-P]Frequency of N - P at topological distance 62D Atom Pairs
4533F06[N-F]Frequency of N - F at topological distance 62D Atom Pairs
4534F06[N-Cl]Frequency of N - Cl at topological distance 62D Atom Pairs
4535F06[N-Br]Frequency of N - Br at topological distance 62D Atom Pairs
4536F06[N-I]Frequency of N - I at topological distance 62D Atom Pairs
4537F06[N-B]Frequency of N - B at topological distance 62D Atom Pairs
4538F06[N-Si]Frequency of N - Si at topological distance 62D Atom Pairs
4539F06[N-X]Frequency of N - X at topological distance 62D Atom Pairs
4540F06[O-O]Frequency of O - O at topological distance 62D Atom Pairs
4541F06[O-S]Frequency of O - S at topological distance 62D Atom Pairs
4542F06[O-P]Frequency of O - P at topological distance 62D Atom Pairs
4543F06[O-F]Frequency of O - F at topological distance 62D Atom Pairs
4544F06[O-Cl]Frequency of O - Cl at topological distance 62D Atom Pairs
4545F06[O-Br]Frequency of O - Br at topological distance 62D Atom Pairs
4546F06[O-I]Frequency of O - I at topological distance 62D Atom Pairs
4547F06[O-B]Frequency of O - B at topological distance 62D Atom Pairs
4548F06[O-Si]Frequency of O - Si at topological distance 62D Atom Pairs
4549F06[O-X]Frequency of O - X at topological distance 62D Atom Pairs
4550F06[S-S]Frequency of S - S at topological distance 62D Atom Pairs
4551F06[S-P]Frequency of S - P at topological distance 62D Atom Pairs
4552F06[S-F]Frequency of S - F at topological distance 62D Atom Pairs
4553F06[S-Cl]Frequency of S - Cl at topological distance 62D Atom Pairs
4554F06[S-Br]Frequency of S - Br at topological distance 62D Atom Pairs
4555F06[S-I]Frequency of S - I at topological distance 62D Atom Pairs
4556F06[S-B]Frequency of S - B at topological distance 62D Atom Pairs
4557F06[S-Si]Frequency of S - Si at topological distance 62D Atom Pairs
4558F06[S-X]Frequency of S - X at topological distance 62D Atom Pairs
4559F06[P-P]Frequency of P - P at topological distance 62D Atom Pairs
4560F06[P-F]Frequency of P - F at topological distance 62D Atom Pairs
4561F06[P-Cl]Frequency of P - Cl at topological distance 62D Atom Pairs
4562F06[P-Br]Frequency of P - Br at topological distance 62D Atom Pairs
4563F06[P-I]Frequency of P - I at topological distance 62D Atom Pairs
4564F06[P-B]Frequency of P - B at topological distance 62D Atom Pairs
4565F06[P-Si]Frequency of P - Si at topological distance 62D Atom Pairs
4566F06[P-X]Frequency of P - X at topological distance 62D Atom Pairs
4567F06[F-F]Frequency of F - F at topological distance 62D Atom Pairs
4568F06[F-Cl]Frequency of F - Cl at topological distance 62D Atom Pairs
4569F06[F-Br]Frequency of F - Br at topological distance 62D Atom Pairs
4570F06[F-I]Frequency of F - I at topological distance 62D Atom Pairs
4571F06[F-B]Frequency of F - B at topological distance 62D Atom Pairs
4572F06[F-Si]Frequency of F - Si at topological distance 62D Atom Pairs
4573F06[F-X]Frequency of F - X at topological distance 62D Atom Pairs
4574F06[Cl-Cl]Frequency of Cl - Cl at topological distance 62D Atom Pairs
4575F06[Cl-Br]Frequency of Cl - Br at topological distance 62D Atom Pairs
4576F06[Cl-I]Frequency of Cl - I at topological distance 62D Atom Pairs
4577F06[Cl-B]Frequency of Cl - B at topological distance 62D Atom Pairs
4578F06[Cl-Si]Frequency of Cl - Si at topological distance 62D Atom Pairs
4579F06[Cl-X]Frequency of Cl - X at topological distance 62D Atom Pairs
4580F06[Br-Br]Frequency of Br - Br at topological distance 62D Atom Pairs
4581F06[Br-I]Frequency of Br - I at topological distance 62D Atom Pairs
4582F06[Br-B]Frequency of Br - B at topological distance 62D Atom Pairs
4583F06[Br-Si]Frequency of Br - Si at topological distance 62D Atom Pairs
4584F06[Br-X]Frequency of Br - X at topological distance 62D Atom Pairs
4585F06[I-I]Frequency of I - I at topological distance 62D Atom Pairs
4586F06[I-B]Frequency of I - B at topological distance 62D Atom Pairs
4587F06[I-Si]Frequency of I - Si at topological distance 62D Atom Pairs
4588F06[I-X]Frequency of I - X at topological distance 62D Atom Pairs
4589F06[B-B]Frequency of B - B at topological distance 62D Atom Pairs
4590F06[B-Si]Frequency of B - Si at topological distance 62D Atom Pairs
4591F06[B-X]Frequency of B - X at topological distance 62D Atom Pairs
4592F06[Si-Si]Frequency of Si - Si at topological distance 62D Atom Pairs
4593F06[Si-X]Frequency of Si - X at topological distance 62D Atom Pairs
4594F06[X-X]Frequency of X - X at topological distance 62D Atom Pairs
4595F07[C-C]Frequency of C - C at topological distance 72D Atom Pairs
4596F07[C-N]Frequency of C - N at topological distance 72D Atom Pairs
4597F07[C-O]Frequency of C - O at topological distance 72D Atom Pairs
4598F07[C-S]Frequency of C - S at topological distance 72D Atom Pairs
4599F07[C-P]Frequency of C - P at topological distance 72D Atom Pairs
4600F07[C-F]Frequency of C - F at topological distance 72D Atom Pairs
4601F07[C-Cl]Frequency of C - Cl at topological distance 72D Atom Pairs
4602F07[C-Br]Frequency of C - Br at topological distance 72D Atom Pairs
4603F07[C-I]Frequency of C - I at topological distance 72D Atom Pairs
4604F07[C-B]Frequency of C - B at topological distance 72D Atom Pairs
4605F07[C-Si]Frequency of C - Si at topological distance 72D Atom Pairs
4606F07[C-X]Frequency of C - X at topological distance 72D Atom Pairs
4607F07[N-N]Frequency of N - N at topological distance 72D Atom Pairs
4608F07[N-O]Frequency of N - O at topological distance 72D Atom Pairs
4609F07[N-S]Frequency of N - S at topological distance 72D Atom Pairs
4610F07[N-P]Frequency of N - P at topological distance 72D Atom Pairs
4611F07[N-F]Frequency of N - F at topological distance 72D Atom Pairs
4612F07[N-Cl]Frequency of N - Cl at topological distance 72D Atom Pairs
4613F07[N-Br]Frequency of N - Br at topological distance 72D Atom Pairs
4614F07[N-I]Frequency of N - I at topological distance 72D Atom Pairs
4615F07[N-B]Frequency of N - B at topological distance 72D Atom Pairs
4616F07[N-Si]Frequency of N - Si at topological distance 72D Atom Pairs
4617F07[N-X]Frequency of N - X at topological distance 72D Atom Pairs
4618F07[O-O]Frequency of O - O at topological distance 72D Atom Pairs
4619F07[O-S]Frequency of O - S at topological distance 72D Atom Pairs
4620F07[O-P]Frequency of O - P at topological distance 72D Atom Pairs
4621F07[O-F]Frequency of O - F at topological distance 72D Atom Pairs
4622F07[O-Cl]Frequency of O - Cl at topological distance 72D Atom Pairs
4623F07[O-Br]Frequency of O - Br at topological distance 72D Atom Pairs
4624F07[O-I]Frequency of O - I at topological distance 72D Atom Pairs
4625F07[O-B]Frequency of O - B at topological distance 72D Atom Pairs
4626F07[O-Si]Frequency of O - Si at topological distance 72D Atom Pairs
4627F07[O-X]Frequency of O - X at topological distance 72D Atom Pairs
4628F07[S-S]Frequency of S - S at topological distance 72D Atom Pairs
4629F07[S-P]Frequency of S - P at topological distance 72D Atom Pairs
4630F07[S-F]Frequency of S - F at topological distance 72D Atom Pairs
4631F07[S-Cl]Frequency of S - Cl at topological distance 72D Atom Pairs
4632F07[S-Br]Frequency of S - Br at topological distance 72D Atom Pairs
4633F07[S-I]Frequency of S - I at topological distance 72D Atom Pairs
4634F07[S-B]Frequency of S - B at topological distance 72D Atom Pairs
4635F07[S-Si]Frequency of S - Si at topological distance 72D Atom Pairs
4636F07[S-X]Frequency of S - X at topological distance 72D Atom Pairs
4637F07[P-P]Frequency of P - P at topological distance 72D Atom Pairs
4638F07[P-F]Frequency of P - F at topological distance 72D Atom Pairs
4639F07[P-Cl]Frequency of P - Cl at topological distance 72D Atom Pairs
4640F07[P-Br]Frequency of P - Br at topological distance 72D Atom Pairs
4641F07[P-I]Frequency of P - I at topological distance 72D Atom Pairs
4642F07[P-B]Frequency of P - B at topological distance 72D Atom Pairs
4643F07[P-Si]Frequency of P - Si at topological distance 72D Atom Pairs
4644F07[P-X]Frequency of P - X at topological distance 72D Atom Pairs
4645F07[F-F]Frequency of F - F at topological distance 72D Atom Pairs
4646F07[F-Cl]Frequency of F - Cl at topological distance 72D Atom Pairs
4647F07[F-Br]Frequency of F - Br at topological distance 72D Atom Pairs
4648F07[F-I]Frequency of F - I at topological distance 72D Atom Pairs
4649F07[F-B]Frequency of F - B at topological distance 72D Atom Pairs
4650F07[F-Si]Frequency of F - Si at topological distance 72D Atom Pairs
4651F07[F-X]Frequency of F - X at topological distance 72D Atom Pairs
4652F07[Cl-Cl]Frequency of Cl - Cl at topological distance 72D Atom Pairs
4653F07[Cl-Br]Frequency of Cl - Br at topological distance 72D Atom Pairs
4654F07[Cl-I]Frequency of Cl - I at topological distance 72D Atom Pairs
4655F07[Cl-B]Frequency of Cl - B at topological distance 72D Atom Pairs
4656F07[Cl-Si]Frequency of Cl - Si at topological distance 72D Atom Pairs
4657F07[Cl-X]Frequency of Cl - X at topological distance 72D Atom Pairs
4658F07[Br-Br]Frequency of Br - Br at topological distance 72D Atom Pairs
4659F07[Br-I]Frequency of Br - I at topological distance 72D Atom Pairs
4660F07[Br-B]Frequency of Br - B at topological distance 72D Atom Pairs
4661F07[Br-Si]Frequency of Br - Si at topological distance 72D Atom Pairs
4662F07[Br-X]Frequency of Br - X at topological distance 72D Atom Pairs
4663F07[I-I]Frequency of I - I at topological distance 72D Atom Pairs
4664F07[I-B]Frequency of I - B at topological distance 72D Atom Pairs
4665F07[I-Si]Frequency of I - Si at topological distance 72D Atom Pairs
4666F07[I-X]Frequency of I - X at topological distance 72D Atom Pairs
4667F07[B-B]Frequency of B - B at topological distance 72D Atom Pairs
4668F07[B-Si]Frequency of B - Si at topological distance 72D Atom Pairs
4669F07[B-X]Frequency of B - X at topological distance 72D Atom Pairs
4670F07[Si-Si]Frequency of Si - Si at topological distance 72D Atom Pairs
4671F07[Si-X]Frequency of Si - X at topological distance 72D Atom Pairs
4672F07[X-X]Frequency of X - X at topological distance 72D Atom Pairs
4673F08[C-C]Frequency of C - C at topological distance 82D Atom Pairs
4674F08[C-N]Frequency of C - N at topological distance 82D Atom Pairs
4675F08[C-O]Frequency of C - O at topological distance 82D Atom Pairs
4676F08[C-S]Frequency of C - S at topological distance 82D Atom Pairs
4677F08[C-P]Frequency of C - P at topological distance 82D Atom Pairs
4678F08[C-F]Frequency of C - F at topological distance 82D Atom Pairs
4679F08[C-Cl]Frequency of C - Cl at topological distance 82D Atom Pairs
4680F08[C-Br]Frequency of C - Br at topological distance 82D Atom Pairs
4681F08[C-I]Frequency of C - I at topological distance 82D Atom Pairs
4682F08[C-B]Frequency of C - B at topological distance 82D Atom Pairs
4683F08[C-Si]Frequency of C - Si at topological distance 82D Atom Pairs
4684F08[C-X]Frequency of C - X at topological distance 82D Atom Pairs
4685F08[N-N]Frequency of N - N at topological distance 82D Atom Pairs
4686F08[N-O]Frequency of N - O at topological distance 82D Atom Pairs
4687F08[N-S]Frequency of N - S at topological distance 82D Atom Pairs
4688F08[N-P]Frequency of N - P at topological distance 82D Atom Pairs
4689F08[N-F]Frequency of N - F at topological distance 82D Atom Pairs
4690F08[N-Cl]Frequency of N - Cl at topological distance 82D Atom Pairs
4691F08[N-Br]Frequency of N - Br at topological distance 82D Atom Pairs
4692F08[N-I]Frequency of N - I at topological distance 82D Atom Pairs
4693F08[N-B]Frequency of N - B at topological distance 82D Atom Pairs
4694F08[N-Si]Frequency of N - Si at topological distance 82D Atom Pairs
4695F08[N-X]Frequency of N - X at topological distance 82D Atom Pairs
4696F08[O-O]Frequency of O - O at topological distance 82D Atom Pairs
4697F08[O-S]Frequency of O - S at topological distance 82D Atom Pairs
4698F08[O-P]Frequency of O - P at topological distance 82D Atom Pairs
4699F08[O-F]Frequency of O - F at topological distance 82D Atom Pairs
4700F08[O-Cl]Frequency of O - Cl at topological distance 82D Atom Pairs
4701F08[O-Br]Frequency of O - Br at topological distance 82D Atom Pairs
4702F08[O-I]Frequency of O - I at topological distance 82D Atom Pairs
4703F08[O-B]Frequency of O - B at topological distance 82D Atom Pairs
4704F08[O-Si]Frequency of O - Si at topological distance 82D Atom Pairs
4705F08[O-X]Frequency of O - X at topological distance 82D Atom Pairs
4706F08[S-S]Frequency of S - S at topological distance 82D Atom Pairs
4707F08[S-P]Frequency of S - P at topological distance 82D Atom Pairs
4708F08[S-F]Frequency of S - F at topological distance 82D Atom Pairs
4709F08[S-Cl]Frequency of S - Cl at topological distance 82D Atom Pairs
4710F08[S-Br]Frequency of S - Br at topological distance 82D Atom Pairs
4711F08[S-I]Frequency of S - I at topological distance 82D Atom Pairs
4712F08[S-B]Frequency of S - B at topological distance 82D Atom Pairs
4713F08[S-Si]Frequency of S - Si at topological distance 82D Atom Pairs
4714F08[S-X]Frequency of S - X at topological distance 82D Atom Pairs
4715F08[P-P]Frequency of P - P at topological distance 82D Atom Pairs
4716F08[P-F]Frequency of P - F at topological distance 82D Atom Pairs
4717F08[P-Cl]Frequency of P - Cl at topological distance 82D Atom Pairs
4718F08[P-Br]Frequency of P - Br at topological distance 82D Atom Pairs
4719F08[P-I]Frequency of P - I at topological distance 82D Atom Pairs
4720F08[P-B]Frequency of P - B at topological distance 82D Atom Pairs
4721F08[P-Si]Frequency of P - Si at topological distance 82D Atom Pairs
4722F08[P-X]Frequency of P - X at topological distance 82D Atom Pairs
4723F08[F-F]Frequency of F - F at topological distance 82D Atom Pairs
4724F08[F-Cl]Frequency of F - Cl at topological distance 82D Atom Pairs
4725F08[F-Br]Frequency of F - Br at topological distance 82D Atom Pairs
4726F08[F-I]Frequency of F - I at topological distance 82D Atom Pairs
4727F08[F-B]Frequency of F - B at topological distance 82D Atom Pairs
4728F08[F-Si]Frequency of F - Si at topological distance 82D Atom Pairs
4729F08[F-X]Frequency of F - X at topological distance 82D Atom Pairs
4730F08[Cl-Cl]Frequency of Cl - Cl at topological distance 82D Atom Pairs
4731F08[Cl-Br]Frequency of Cl - Br at topological distance 82D Atom Pairs
4732F08[Cl-I]Frequency of Cl - I at topological distance 82D Atom Pairs
4733F08[Cl-B]Frequency of Cl - B at topological distance 82D Atom Pairs
4734F08[Cl-Si]Frequency of Cl - Si at topological distance 82D Atom Pairs
4735F08[Cl-X]Frequency of Cl - X at topological distance 82D Atom Pairs
4736F08[Br-Br]Frequency of Br - Br at topological distance 82D Atom Pairs
4737F08[Br-I]Frequency of Br - I at topological distance 82D Atom Pairs
4738F08[Br-B]Frequency of Br - B at topological distance 82D Atom Pairs
4739F08[Br-Si]Frequency of Br - Si at topological distance 82D Atom Pairs
4740F08[Br-X]Frequency of Br - X at topological distance 82D Atom Pairs
4741F08[I-I]Frequency of I - I at topological distance 82D Atom Pairs
4742F08[I-B]Frequency of I - B at topological distance 82D Atom Pairs
4743F08[I-Si]Frequency of I - Si at topological distance 82D Atom Pairs
4744F08[I-X]Frequency of I - X at topological distance 82D Atom Pairs
4745F08[B-B]Frequency of B - B at topological distance 82D Atom Pairs
4746F08[B-Si]Frequency of B - Si at topological distance 82D Atom Pairs
4747F08[B-X]Frequency of B - X at topological distance 82D Atom Pairs
4748F08[Si-Si]Frequency of Si - Si at topological distance 82D Atom Pairs
4749F08[Si-X]Frequency of Si - X at topological distance 82D Atom Pairs
4750F08[X-X]Frequency of X - X at topological distance 82D Atom Pairs
4751F09[C-C]Frequency of C - C at topological distance 92D Atom Pairs
4752F09[C-N]Frequency of C - N at topological distance 92D Atom Pairs
4753F09[C-O]Frequency of C - O at topological distance 92D Atom Pairs
4754F09[C-S]Frequency of C - S at topological distance 92D Atom Pairs
4755F09[C-P]Frequency of C - P at topological distance 92D Atom Pairs
4756F09[C-F]Frequency of C - F at topological distance 92D Atom Pairs
4757F09[C-Cl]Frequency of C - Cl at topological distance 92D Atom Pairs
4758F09[C-Br]Frequency of C - Br at topological distance 92D Atom Pairs
4759F09[C-I]Frequency of C - I at topological distance 92D Atom Pairs
4760F09[C-B]Frequency of C - B at topological distance 92D Atom Pairs
4761F09[C-Si]Frequency of C - Si at topological distance 92D Atom Pairs
4762F09[C-X]Frequency of C - X at topological distance 92D Atom Pairs
4763F09[N-N]Frequency of N - N at topological distance 92D Atom Pairs
4764F09[N-O]Frequency of N - O at topological distance 92D Atom Pairs
4765F09[N-S]Frequency of N - S at topological distance 92D Atom Pairs
4766F09[N-P]Frequency of N - P at topological distance 92D Atom Pairs
4767F09[N-F]Frequency of N - F at topological distance 92D Atom Pairs
4768F09[N-Cl]Frequency of N - Cl at topological distance 92D Atom Pairs
4769F09[N-Br]Frequency of N - Br at topological distance 92D Atom Pairs
4770F09[N-I]Frequency of N - I at topological distance 92D Atom Pairs
4771F09[N-B]Frequency of N - B at topological distance 92D Atom Pairs
4772F09[N-Si]Frequency of N - Si at topological distance 92D Atom Pairs
4773F09[N-X]Frequency of N - X at topological distance 92D Atom Pairs
4774F09[O-O]Frequency of O - O at topological distance 92D Atom Pairs
4775F09[O-S]Frequency of O - S at topological distance 92D Atom Pairs
4776F09[O-P]Frequency of O - P at topological distance 92D Atom Pairs
4777F09[O-F]Frequency of O - F at topological distance 92D Atom Pairs
4778F09[O-Cl]Frequency of O - Cl at topological distance 92D Atom Pairs
4779F09[O-Br]Frequency of O - Br at topological distance 92D Atom Pairs
4780F09[O-I]Frequency of O - I at topological distance 92D Atom Pairs
4781F09[O-B]Frequency of O - B at topological distance 92D Atom Pairs
4782F09[O-Si]Frequency of O - Si at topological distance 92D Atom Pairs
4783F09[O-X]Frequency of O - X at topological distance 92D Atom Pairs
4784F09[S-S]Frequency of S - S at topological distance 92D Atom Pairs
4785F09[S-P]Frequency of S - P at topological distance 92D Atom Pairs
4786F09[S-F]Frequency of S - F at topological distance 92D Atom Pairs
4787F09[S-Cl]Frequency of S - Cl at topological distance 92D Atom Pairs
4788F09[S-Br]Frequency of S - Br at topological distance 92D Atom Pairs
4789F09[S-I]Frequency of S - I at topological distance 92D Atom Pairs
4790F09[S-B]Frequency of S - B at topological distance 92D Atom Pairs
4791F09[S-Si]Frequency of S - Si at topological distance 92D Atom Pairs
4792F09[S-X]Frequency of S - X at topological distance 92D Atom Pairs
4793F09[P-P]Frequency of P - P at topological distance 92D Atom Pairs
4794F09[P-F]Frequency of P - F at topological distance 92D Atom Pairs
4795F09[P-Cl]Frequency of P - Cl at topological distance 92D Atom Pairs
4796F09[P-Br]Frequency of P - Br at topological distance 92D Atom Pairs
4797F09[P-I]Frequency of P - I at topological distance 92D Atom Pairs
4798F09[P-B]Frequency of P - B at topological distance 92D Atom Pairs
4799F09[P-Si]Frequency of P - Si at topological distance 92D Atom Pairs
4800F09[P-X]Frequency of P - X at topological distance 92D Atom Pairs
4801F09[F-F]Frequency of F - F at topological distance 92D Atom Pairs
4802F09[F-Cl]Frequency of F - Cl at topological distance 92D Atom Pairs
4803F09[F-Br]Frequency of F - Br at topological distance 92D Atom Pairs
4804F09[F-I]Frequency of F - I at topological distance 92D Atom Pairs
4805F09[F-B]Frequency of F - B at topological distance 92D Atom Pairs
4806F09[F-Si]Frequency of F - Si at topological distance 92D Atom Pairs
4807F09[F-X]Frequency of F - X at topological distance 92D Atom Pairs
4808F09[Cl-Cl]Frequency of Cl - Cl at topological distance 92D Atom Pairs
4809F09[Cl-Br]Frequency of Cl - Br at topological distance 92D Atom Pairs
4810F09[Cl-I]Frequency of Cl - I at topological distance 92D Atom Pairs
4811F09[Cl-B]Frequency of Cl - B at topological distance 92D Atom Pairs
4812F09[Cl-Si]Frequency of Cl - Si at topological distance 92D Atom Pairs
4813F09[Cl-X]Frequency of Cl - X at topological distance 92D Atom Pairs
4814F09[Br-Br]Frequency of Br - Br at topological distance 92D Atom Pairs
4815F09[Br-I]Frequency of Br - I at topological distance 92D Atom Pairs
4816F09[Br-B]Frequency of Br - B at topological distance 92D Atom Pairs
4817F09[Br-Si]Frequency of Br - Si at topological distance 92D Atom Pairs
4818F09[Br-X]Frequency of Br - X at topological distance 92D Atom Pairs
4819F09[I-I]Frequency of I - I at topological distance 92D Atom Pairs
4820F09[I-B]Frequency of I - B at topological distance 92D Atom Pairs
4821F09[I-Si]Frequency of I - Si at topological distance 92D Atom Pairs
4822F09[I-X]Frequency of I - X at topological distance 92D Atom Pairs
4823F09[B-B]Frequency of B - B at topological distance 92D Atom Pairs
4824F09[B-Si]Frequency of B - Si at topological distance 92D Atom Pairs
4825F09[B-X]Frequency of B - X at topological distance 92D Atom Pairs
4826F09[Si-Si]Frequency of Si - Si at topological distance 92D Atom Pairs
4827F09[Si-X]Frequency of Si - X at topological distance 92D Atom Pairs
4828F09[X-X]Frequency of X - X at topological distance 92D Atom Pairs
4829F10[C-C]Frequency of C - C at topological distance 102D Atom Pairs
4830F10[C-N]Frequency of C - N at topological distance 102D Atom Pairs
4831F10[C-O]Frequency of C - O at topological distance 102D Atom Pairs
4832F10[C-S]Frequency of C - S at topological distance 102D Atom Pairs
4833F10[C-P]Frequency of C - P at topological distance 102D Atom Pairs
4834F10[C-F]Frequency of C - F at topological distance 102D Atom Pairs
4835F10[C-Cl]Frequency of C - Cl at topological distance 102D Atom Pairs
4836F10[C-Br]Frequency of C - Br at topological distance 102D Atom Pairs
4837F10[C-I]Frequency of C - I at topological distance 102D Atom Pairs
4838F10[C-B]Frequency of C - B at topological distance 102D Atom Pairs
4839F10[C-Si]Frequency of C - Si at topological distance 102D Atom Pairs
4840F10[C-X]Frequency of C - X at topological distance 102D Atom Pairs
4841F10[N-N]Frequency of N - N at topological distance 102D Atom Pairs
4842F10[N-O]Frequency of N - O at topological distance 102D Atom Pairs
4843F10[N-S]Frequency of N - S at topological distance 102D Atom Pairs
4844F10[N-P]Frequency of N - P at topological distance 102D Atom Pairs
4845F10[N-F]Frequency of N - F at topological distance 102D Atom Pairs
4846F10[N-Cl]Frequency of N - Cl at topological distance 102D Atom Pairs
4847F10[N-Br]Frequency of N - Br at topological distance 102D Atom Pairs
4848F10[N-I]Frequency of N - I at topological distance 102D Atom Pairs
4849F10[N-B]Frequency of N - B at topological distance 102D Atom Pairs
4850F10[N-Si]Frequency of N - Si at topological distance 102D Atom Pairs
4851F10[N-X]Frequency of N - X at topological distance 102D Atom Pairs
4852F10[O-O]Frequency of O - O at topological distance 102D Atom Pairs
4853F10[O-S]Frequency of O - S at topological distance 102D Atom Pairs
4854F10[O-P]Frequency of O - P at topological distance 102D Atom Pairs
4855F10[O-F]Frequency of O - F at topological distance 102D Atom Pairs
4856F10[O-Cl]Frequency of O - Cl at topological distance 102D Atom Pairs
4857F10[O-Br]Frequency of O - Br at topological distance 102D Atom Pairs
4858F10[O-I]Frequency of O - I at topological distance 102D Atom Pairs
4859F10[O-B]Frequency of O - B at topological distance 102D Atom Pairs
4860F10[O-Si]Frequency of O - Si at topological distance 102D Atom Pairs
4861F10[O-X]Frequency of O - X at topological distance 102D Atom Pairs
4862F10[S-S]Frequency of S - S at topological distance 102D Atom Pairs
4863F10[S-P]Frequency of S - P at topological distance 102D Atom Pairs
4864F10[S-F]Frequency of S - F at topological distance 102D Atom Pairs
4865F10[S-Cl]Frequency of S - Cl at topological distance 102D Atom Pairs
4866F10[S-Br]Frequency of S - Br at topological distance 102D Atom Pairs
4867F10[S-I]Frequency of S - I at topological distance 102D Atom Pairs
4868F10[S-B]Frequency of S - B at topological distance 102D Atom Pairs
4869F10[S-Si]Frequency of S - Si at topological distance 102D Atom Pairs
4870F10[S-X]Frequency of S - X at topological distance 102D Atom Pairs
4871F10[P-P]Frequency of P - P at topological distance 102D Atom Pairs
4872F10[P-F]Frequency of P - F at topological distance 102D Atom Pairs
4873F10[P-Cl]Frequency of P - Cl at topological distance 102D Atom Pairs
4874F10[P-Br]Frequency of P - Br at topological distance 102D Atom Pairs
4875F10[P-I]Frequency of P - I at topological distance 102D Atom Pairs
4876F10[P-B]Frequency of P - B at topological distance 102D Atom Pairs
4877F10[P-Si]Frequency of P - Si at topological distance 102D Atom Pairs
4878F10[P-X]Frequency of P - X at topological distance 102D Atom Pairs
4879F10[F-F]Frequency of F - F at topological distance 102D Atom Pairs
4880F10[F-Cl]Frequency of F - Cl at topological distance 102D Atom Pairs
4881F10[F-Br]Frequency of F - Br at topological distance 102D Atom Pairs
4882F10[F-I]Frequency of F - I at topological distance 102D Atom Pairs
4883F10[F-B]Frequency of F - B at topological distance 102D Atom Pairs
4884F10[F-Si]Frequency of F - Si at topological distance 102D Atom Pairs
4885F10[F-X]Frequency of F - X at topological distance 102D Atom Pairs
4886F10[Cl-Cl]Frequency of Cl - Cl at topological distance 102D Atom Pairs
4887F10[Cl-Br]Frequency of Cl - Br at topological distance 102D Atom Pairs
4888F10[Cl-I]Frequency of Cl - I at topological distance 102D Atom Pairs
4889F10[Cl-B]Frequency of Cl - B at topological distance 102D Atom Pairs
4890F10[Cl-Si]Frequency of Cl - Si at topological distance 102D Atom Pairs
4891F10[Cl-X]Frequency of Cl - X at topological distance 102D Atom Pairs
4892F10[Br-Br]Frequency of Br - Br at topological distance 102D Atom Pairs
4893F10[Br-I]Frequency of Br - I at topological distance 102D Atom Pairs
4894F10[Br-B]Frequency of Br - B at topological distance 102D Atom Pairs
4895F10[Br-Si]Frequency of Br - Si at topological distance 102D Atom Pairs
4896F10[Br-X]Frequency of Br - X at topological distance 102D Atom Pairs
4897F10[I-I]Frequency of I - I at topological distance 102D Atom Pairs
4898F10[I-B]Frequency of I - B at topological distance 102D Atom Pairs
4899F10[I-Si]Frequency of I - Si at topological distance 102D Atom Pairs
4900F10[I-X]Frequency of I - X at topological distance 102D Atom Pairs
4901F10[B-B]Frequency of B - B at topological distance 102D Atom Pairs
4902F10[B-Si]Frequency of B - Si at topological distance 102D Atom Pairs
4903F10[B-X]Frequency of B - X at topological distance 102D Atom Pairs
4904F10[Si-Si]Frequency of Si - Si at topological distance 102D Atom Pairs
4905F10[Si-X]Frequency of Si - X at topological distance 102D Atom Pairs
4906F10[X-X]Frequency of X - X at topological distance 102D Atom Pairs
4907G(N..N)sum of geometrical distances between N..N3D Atom Pairs
4908G(N..O)sum of geometrical distances between N..O3D Atom Pairs
4909G(N..S)sum of geometrical distances between N..S3D Atom Pairs
4910G(N..P)sum of geometrical distances between N..P3D Atom Pairs
4911G(N..F)sum of geometrical distances between N..F3D Atom Pairs
4912G(N..Cl)sum of geometrical distances between N..Cl3D Atom Pairs
4913G(N..Br)sum of geometrical distances between N..Br3D Atom Pairs
4914G(N..I)sum of geometrical distances between N..I3D Atom Pairs
4915G(O..O)sum of geometrical distances between O..O3D Atom Pairs
4916G(O..S)sum of geometrical distances between O..S3D Atom Pairs
4917G(O..P)sum of geometrical distances between O..P3D Atom Pairs
4918G(O..F)sum of geometrical distances between O..F3D Atom Pairs
4919G(O..Cl)sum of geometrical distances between O..Cl3D Atom Pairs
4920G(O..Br)sum of geometrical distances between O..Br3D Atom Pairs
4921G(O..I)sum of geometrical distances between O..I3D Atom Pairs
4922G(S..S)sum of geometrical distances between S..S3D Atom Pairs
4923G(S..P)sum of geometrical distances between S..P3D Atom Pairs
4924G(S..F)sum of geometrical distances between S..F3D Atom Pairs
4925G(S..Cl)sum of geometrical distances between S..Cl3D Atom Pairs
4926G(S..Br)sum of geometrical distances between S..Br3D Atom Pairs
4927G(S..I)sum of geometrical distances between S..I3D Atom Pairs
4928G(P..P)sum of geometrical distances between P..P3D Atom Pairs
4929G(P..F)sum of geometrical distances between P..F3D Atom Pairs
4930G(P..Cl)sum of geometrical distances between P..Cl3D Atom Pairs
4931G(P..Br)sum of geometrical distances between P..Br3D Atom Pairs
4932G(P..I)sum of geometrical distances between P..I3D Atom Pairs
4933G(F..F)sum of geometrical distances between F..F3D Atom Pairs
4934G(F..Cl)sum of geometrical distances between F..Cl3D Atom Pairs
4935G(F..Br)sum of geometrical distances between F..Br3D Atom Pairs
4936G(F..I)sum of geometrical distances between F..I3D Atom Pairs
4937G(Cl..Cl)sum of geometrical distances between Cl..Cl3D Atom Pairs
4938G(Cl..Br)sum of geometrical distances between Cl..Br3D Atom Pairs
4939G(Cl..I)sum of geometrical distances between Cl..I3D Atom Pairs
4940G(Br..Br)sum of geometrical distances between Br..Br3D Atom Pairs
4941G(Br..I)sum of geometrical distances between Br..I3D Atom Pairs
4942G(I..I)sum of geometrical distances between I..I3D Atom Pairs
4943qpmaxmaximum positive chargeCharge descriptors
4944qnmaxmaximum negative chargeCharge descriptors
4945Qpostotal positive chargeCharge descriptors
4946Qnegtotal negative chargeCharge descriptors
4947Qtottotal absolute charge (electronic charge index - ECI)Charge descriptors
4948Qmeanmean absolute charge (charge polarization)Charge descriptors
4949Q2total squared chargeCharge descriptors
4950RPCGrelative positive chargeCharge descriptors
4951RNCGrelative negative chargeCharge descriptors
4952SPPsubmolecular polarity parameterCharge descriptors
4953TE1topographic electronic descriptorCharge descriptors
4954TE2topographic electronic descriptor (bond resctricted)Charge descriptors
4955PCWTE1partial charge weighted topological electronic indexCharge descriptors
4956PCWTE2partial charge weighted topological electronic index (bond resctricted)Charge descriptors
4957LDIlocal dipole indexCharge descriptors
4958Ucunsaturation countMolecular properties
4959Uiunsaturation indexMolecular properties
4960Hyhydrophilic factorMolecular properties
4961AMRGhose-Crippen molar refractivityMolecular properties
4962TPSA(NO)topological polar surface area using N,O polar contributionsMolecular properties
4963TPSA(Tot)topological polar surface area using N,O,S,P polar contributionsMolecular properties
4964MLOGPMoriguchi octanol-water partition coeff. (logP)Molecular properties
4965MLOGP2squared Moriguchi octanol-water partition coeff. (logP^2)Molecular properties
4966ALOGPGhose-Crippen octanol-water partition coeff. (logP)Molecular properties
4967ALOGP2squared Ghose-Crippen octanol-water partition coeff. (logP^2)Molecular properties
4968SAtottotal surface area from P_VSA-like descriptorsMolecular properties
4969SAaccsurface area of acceptor atoms from P_VSA-like descriptorsMolecular properties
4970SAdonsurface area of donor atoms from P_VSA-like descriptorsMolecular properties
4971VxMcGowan volumeMolecular properties
4972VvdwMGvan der Waals volume from McGowan volumeMolecular properties
4973VvdwZAZvan der Waals volume from Zhao-Abraham-Zissimos equationMolecular properties
4974PDIpacking density indexMolecular properties
4975BLTF96Verhaar Fish base-line toxicity from MLOGP (mmol/l)Molecular properties
4976BLTD48Verhaar Daphnia base-line toxicity from MLOGP (mmol/l)Molecular properties
4977BLTA96Verhaar Algae base-line toxicity from MLOGP (mmol/l)Molecular properties
4978Ro5Lipinski Rule of 5Drug-like indices
4979cRo5Complementary Lipinski Alert indexDrug-like indices
4980DLS_01modified drug-like score from Lipinski (4 rules)Drug-like indices
4981DLS_02modified drug-like score from Oprea et al. (6 rules)Drug-like indices
4982DLS_03modified drug-like score from Walters et al. (6 rules)Drug-like indices
4983DLS_04modified drug-like score from Chen et al. (7 rules)Drug-like indices
4984DLS_05modified drug-like score from Zheng et al. (2 rules)Drug-like indices
4985DLS_06modified drug-like score from Rishton (6 rules)Drug-like indices
4986DLS_07modified drug-like score from Veber et al. (2 rules)Drug-like indices
4987DLS_consDRAGON consensus drug-like scoreDrug-like indices
4988LLS_01modified lead-like score from Congreve et al. (6 rules)Drug-like indices
4989LLS_02modified lead-like score from Monge et al. (8 rules)Drug-like indices
4990CMC-80Ghose-Viswanadhan-Wendoloski CMC drug-like index at 80%Drug-like indices
4991CMC-50Ghose-Viswanadhan-Wendoloski CMC drug-like index at 50%Drug-like indices
4992Inflammat-80Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 80%Drug-like indices
4993Inflammat-50Ghose-Viswanadhan-Wendoloski antiinflammatory-like index at 50%Drug-like indices
4994Depressant-80Ghose-Viswanadhan-Wendoloski antidepressant-like index at 80%Drug-like indices
4995Depressant-50Ghose-Viswanadhan-Wendoloski antidepressant-like index at 50%Drug-like indices
4996Psychotic-80Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 80%Drug-like indices
4997Psychotic-50Ghose-Viswanadhan-Wendoloski antipsychotic-like index at 50%Drug-like indices
4998Hypertens-80Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 80%Drug-like indices
4999Hypertens-50Ghose-Viswanadhan-Wendoloski antihypertensive-like index at 50%Drug-like indices
5000Hypnotic-80Ghose-Viswanadhan-Wendoloski hypnotic-like index at 80%Drug-like indices
5001Hypnotic-50Ghose-Viswanadhan-Wendoloski hypnotic-like index at 50%Drug-like indices
5002Neoplastic-80Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 80%Drug-like indices
5003Neoplastic-50Ghose-Viswanadhan-Wendoloski antineoplastic-like index at 50%Drug-like indices
5004Infective-80Ghose-Viswanadhan-Wendoloski antiinfective-like index at 80%Drug-like indices
5005Infective-50Ghose-Viswanadhan-Wendoloski antiinfective-like index at 50%Drug-like indices
5006CATS3D_00_DDCATS3D Donor-Donor BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5007CATS3D_01_DDCATS3D Donor-Donor BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5008CATS3D_02_DDCATS3D Donor-Donor BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5009CATS3D_03_DDCATS3D Donor-Donor BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5010CATS3D_04_DDCATS3D Donor-Donor BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5011CATS3D_05_DDCATS3D Donor-Donor BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5012CATS3D_06_DDCATS3D Donor-Donor BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5013CATS3D_07_DDCATS3D Donor-Donor BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5014CATS3D_08_DDCATS3D Donor-Donor BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5015CATS3D_09_DDCATS3D Donor-Donor BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5016CATS3D_10_DDCATS3D Donor-Donor BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5017CATS3D_11_DDCATS3D Donor-Donor BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5018CATS3D_12_DDCATS3D Donor-Donor BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5019CATS3D_13_DDCATS3D Donor-Donor BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5020CATS3D_14_DDCATS3D Donor-Donor BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5021CATS3D_15_DDCATS3D Donor-Donor BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5022CATS3D_16_DDCATS3D Donor-Donor BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5023CATS3D_17_DDCATS3D Donor-Donor BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5024CATS3D_18_DDCATS3D Donor-Donor BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5025CATS3D_19_DDCATS3D Donor-Donor BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5026CATS3D_00_DACATS3D Donor-Acceptor BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5027CATS3D_01_DACATS3D Donor-Acceptor BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5028CATS3D_02_DACATS3D Donor-Acceptor BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5029CATS3D_03_DACATS3D Donor-Acceptor BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5030CATS3D_04_DACATS3D Donor-Acceptor BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5031CATS3D_05_DACATS3D Donor-Acceptor BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5032CATS3D_06_DACATS3D Donor-Acceptor BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5033CATS3D_07_DACATS3D Donor-Acceptor BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5034CATS3D_08_DACATS3D Donor-Acceptor BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5035CATS3D_09_DACATS3D Donor-Acceptor BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5036CATS3D_10_DACATS3D Donor-Acceptor BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5037CATS3D_11_DACATS3D Donor-Acceptor BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5038CATS3D_12_DACATS3D Donor-Acceptor BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5039CATS3D_13_DACATS3D Donor-Acceptor BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5040CATS3D_14_DACATS3D Donor-Acceptor BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5041CATS3D_15_DACATS3D Donor-Acceptor BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5042CATS3D_16_DACATS3D Donor-Acceptor BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5043CATS3D_17_DACATS3D Donor-Acceptor BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5044CATS3D_18_DACATS3D Donor-Acceptor BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5045CATS3D_19_DACATS3D Donor-Acceptor BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5046CATS3D_00_DPCATS3D Donor-Positive BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5047CATS3D_01_DPCATS3D Donor-Positive BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5048CATS3D_02_DPCATS3D Donor-Positive BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5049CATS3D_03_DPCATS3D Donor-Positive BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5050CATS3D_04_DPCATS3D Donor-Positive BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5051CATS3D_05_DPCATS3D Donor-Positive BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5052CATS3D_06_DPCATS3D Donor-Positive BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5053CATS3D_07_DPCATS3D Donor-Positive BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5054CATS3D_08_DPCATS3D Donor-Positive BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5055CATS3D_09_DPCATS3D Donor-Positive BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5056CATS3D_10_DPCATS3D Donor-Positive BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5057CATS3D_11_DPCATS3D Donor-Positive BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5058CATS3D_12_DPCATS3D Donor-Positive BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5059CATS3D_13_DPCATS3D Donor-Positive BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5060CATS3D_14_DPCATS3D Donor-Positive BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5061CATS3D_15_DPCATS3D Donor-Positive BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5062CATS3D_16_DPCATS3D Donor-Positive BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5063CATS3D_17_DPCATS3D Donor-Positive BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5064CATS3D_18_DPCATS3D Donor-Positive BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5065CATS3D_19_DPCATS3D Donor-Positive BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5066CATS3D_00_DNCATS3D Donor-Negative BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5067CATS3D_01_DNCATS3D Donor-Negative BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5068CATS3D_02_DNCATS3D Donor-Negative BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5069CATS3D_03_DNCATS3D Donor-Negative BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5070CATS3D_04_DNCATS3D Donor-Negative BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5071CATS3D_05_DNCATS3D Donor-Negative BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5072CATS3D_06_DNCATS3D Donor-Negative BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5073CATS3D_07_DNCATS3D Donor-Negative BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5074CATS3D_08_DNCATS3D Donor-Negative BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5075CATS3D_09_DNCATS3D Donor-Negative BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5076CATS3D_10_DNCATS3D Donor-Negative BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5077CATS3D_11_DNCATS3D Donor-Negative BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5078CATS3D_12_DNCATS3D Donor-Negative BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5079CATS3D_13_DNCATS3D Donor-Negative BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5080CATS3D_14_DNCATS3D Donor-Negative BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5081CATS3D_15_DNCATS3D Donor-Negative BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5082CATS3D_16_DNCATS3D Donor-Negative BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5083CATS3D_17_DNCATS3D Donor-Negative BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5084CATS3D_18_DNCATS3D Donor-Negative BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5085CATS3D_19_DNCATS3D Donor-Negative BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5086CATS3D_00_DLCATS3D Donor-Lipophilic BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5087CATS3D_01_DLCATS3D Donor-Lipophilic BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5088CATS3D_02_DLCATS3D Donor-Lipophilic BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5089CATS3D_03_DLCATS3D Donor-Lipophilic BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5090CATS3D_04_DLCATS3D Donor-Lipophilic BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5091CATS3D_05_DLCATS3D Donor-Lipophilic BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5092CATS3D_06_DLCATS3D Donor-Lipophilic BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5093CATS3D_07_DLCATS3D Donor-Lipophilic BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5094CATS3D_08_DLCATS3D Donor-Lipophilic BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5095CATS3D_09_DLCATS3D Donor-Lipophilic BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5096CATS3D_10_DLCATS3D Donor-Lipophilic BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5097CATS3D_11_DLCATS3D Donor-Lipophilic BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5098CATS3D_12_DLCATS3D Donor-Lipophilic BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5099CATS3D_13_DLCATS3D Donor-Lipophilic BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5100CATS3D_14_DLCATS3D Donor-Lipophilic BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5101CATS3D_15_DLCATS3D Donor-Lipophilic BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5102CATS3D_16_DLCATS3D Donor-Lipophilic BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5103CATS3D_17_DLCATS3D Donor-Lipophilic BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5104CATS3D_18_DLCATS3D Donor-Lipophilic BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5105CATS3D_19_DLCATS3D Donor-Lipophilic BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5106CATS3D_00_AACATS3D Acceptor-Acceptor BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5107CATS3D_01_AACATS3D Acceptor-Acceptor BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5108CATS3D_02_AACATS3D Acceptor-Acceptor BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5109CATS3D_03_AACATS3D Acceptor-Acceptor BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5110CATS3D_04_AACATS3D Acceptor-Acceptor BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5111CATS3D_05_AACATS3D Acceptor-Acceptor BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5112CATS3D_06_AACATS3D Acceptor-Acceptor BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5113CATS3D_07_AACATS3D Acceptor-Acceptor BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5114CATS3D_08_AACATS3D Acceptor-Acceptor BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5115CATS3D_09_AACATS3D Acceptor-Acceptor BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5116CATS3D_10_AACATS3D Acceptor-Acceptor BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5117CATS3D_11_AACATS3D Acceptor-Acceptor BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5118CATS3D_12_AACATS3D Acceptor-Acceptor BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5119CATS3D_13_AACATS3D Acceptor-Acceptor BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5120CATS3D_14_AACATS3D Acceptor-Acceptor BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5121CATS3D_15_AACATS3D Acceptor-Acceptor BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5122CATS3D_16_AACATS3D Acceptor-Acceptor BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5123CATS3D_17_AACATS3D Acceptor-Acceptor BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5124CATS3D_18_AACATS3D Acceptor-Acceptor BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5125CATS3D_19_AACATS3D Acceptor-Acceptor BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5126CATS3D_00_APCATS3D Acceptor-Positive BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5127CATS3D_01_APCATS3D Acceptor-Positive BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5128CATS3D_02_APCATS3D Acceptor-Positive BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5129CATS3D_03_APCATS3D Acceptor-Positive BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5130CATS3D_04_APCATS3D Acceptor-Positive BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5131CATS3D_05_APCATS3D Acceptor-Positive BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5132CATS3D_06_APCATS3D Acceptor-Positive BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5133CATS3D_07_APCATS3D Acceptor-Positive BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5134CATS3D_08_APCATS3D Acceptor-Positive BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5135CATS3D_09_APCATS3D Acceptor-Positive BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5136CATS3D_10_APCATS3D Acceptor-Positive BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5137CATS3D_11_APCATS3D Acceptor-Positive BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5138CATS3D_12_APCATS3D Acceptor-Positive BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5139CATS3D_13_APCATS3D Acceptor-Positive BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5140CATS3D_14_APCATS3D Acceptor-Positive BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5141CATS3D_15_APCATS3D Acceptor-Positive BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5142CATS3D_16_APCATS3D Acceptor-Positive BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5143CATS3D_17_APCATS3D Acceptor-Positive BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5144CATS3D_18_APCATS3D Acceptor-Positive BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5145CATS3D_19_APCATS3D Acceptor-Positive BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5146CATS3D_00_ANCATS3D Acceptor-Negative BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5147CATS3D_01_ANCATS3D Acceptor-Negative BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5148CATS3D_02_ANCATS3D Acceptor-Negative BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5149CATS3D_03_ANCATS3D Acceptor-Negative BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5150CATS3D_04_ANCATS3D Acceptor-Negative BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5151CATS3D_05_ANCATS3D Acceptor-Negative BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5152CATS3D_06_ANCATS3D Acceptor-Negative BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5153CATS3D_07_ANCATS3D Acceptor-Negative BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5154CATS3D_08_ANCATS3D Acceptor-Negative BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5155CATS3D_09_ANCATS3D Acceptor-Negative BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5156CATS3D_10_ANCATS3D Acceptor-Negative BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5157CATS3D_11_ANCATS3D Acceptor-Negative BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5158CATS3D_12_ANCATS3D Acceptor-Negative BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5159CATS3D_13_ANCATS3D Acceptor-Negative BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5160CATS3D_14_ANCATS3D Acceptor-Negative BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5161CATS3D_15_ANCATS3D Acceptor-Negative BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5162CATS3D_16_ANCATS3D Acceptor-Negative BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5163CATS3D_17_ANCATS3D Acceptor-Negative BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5164CATS3D_18_ANCATS3D Acceptor-Negative BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5165CATS3D_19_ANCATS3D Acceptor-Negative BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5166CATS3D_00_ALCATS3D Acceptor-Lipophilic BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5167CATS3D_01_ALCATS3D Acceptor-Lipophilic BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5168CATS3D_02_ALCATS3D Acceptor-Lipophilic BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5169CATS3D_03_ALCATS3D Acceptor-Lipophilic BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5170CATS3D_04_ALCATS3D Acceptor-Lipophilic BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5171CATS3D_05_ALCATS3D Acceptor-Lipophilic BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5172CATS3D_06_ALCATS3D Acceptor-Lipophilic BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5173CATS3D_07_ALCATS3D Acceptor-Lipophilic BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5174CATS3D_08_ALCATS3D Acceptor-Lipophilic BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5175CATS3D_09_ALCATS3D Acceptor-Lipophilic BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5176CATS3D_10_ALCATS3D Acceptor-Lipophilic BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5177CATS3D_11_ALCATS3D Acceptor-Lipophilic BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5178CATS3D_12_ALCATS3D Acceptor-Lipophilic BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5179CATS3D_13_ALCATS3D Acceptor-Lipophilic BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5180CATS3D_14_ALCATS3D Acceptor-Lipophilic BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5181CATS3D_15_ALCATS3D Acceptor-Lipophilic BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5182CATS3D_16_ALCATS3D Acceptor-Lipophilic BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5183CATS3D_17_ALCATS3D Acceptor-Lipophilic BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5184CATS3D_18_ALCATS3D Acceptor-Lipophilic BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5185CATS3D_19_ALCATS3D Acceptor-Lipophilic BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5186CATS3D_00_PPCATS3D Positive-Positive BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5187CATS3D_01_PPCATS3D Positive-Positive BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5188CATS3D_02_PPCATS3D Positive-Positive BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5189CATS3D_03_PPCATS3D Positive-Positive BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5190CATS3D_04_PPCATS3D Positive-Positive BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5191CATS3D_05_PPCATS3D Positive-Positive BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5192CATS3D_06_PPCATS3D Positive-Positive BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5193CATS3D_07_PPCATS3D Positive-Positive BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5194CATS3D_08_PPCATS3D Positive-Positive BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5195CATS3D_09_PPCATS3D Positive-Positive BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5196CATS3D_10_PPCATS3D Positive-Positive BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5197CATS3D_11_PPCATS3D Positive-Positive BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5198CATS3D_12_PPCATS3D Positive-Positive BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5199CATS3D_13_PPCATS3D Positive-Positive BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5200CATS3D_14_PPCATS3D Positive-Positive BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5201CATS3D_15_PPCATS3D Positive-Positive BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5202CATS3D_16_PPCATS3D Positive-Positive BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5203CATS3D_17_PPCATS3D Positive-Positive BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5204CATS3D_18_PPCATS3D Positive-Positive BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5205CATS3D_19_PPCATS3D Positive-Positive BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5206CATS3D_00_PNCATS3D Positive-Negative BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5207CATS3D_01_PNCATS3D Positive-Negative BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5208CATS3D_02_PNCATS3D Positive-Negative BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5209CATS3D_03_PNCATS3D Positive-Negative BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5210CATS3D_04_PNCATS3D Positive-Negative BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5211CATS3D_05_PNCATS3D Positive-Negative BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5212CATS3D_06_PNCATS3D Positive-Negative BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5213CATS3D_07_PNCATS3D Positive-Negative BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5214CATS3D_08_PNCATS3D Positive-Negative BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5215CATS3D_09_PNCATS3D Positive-Negative BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5216CATS3D_10_PNCATS3D Positive-Negative BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5217CATS3D_11_PNCATS3D Positive-Negative BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5218CATS3D_12_PNCATS3D Positive-Negative BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5219CATS3D_13_PNCATS3D Positive-Negative BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5220CATS3D_14_PNCATS3D Positive-Negative BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5221CATS3D_15_PNCATS3D Positive-Negative BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5222CATS3D_16_PNCATS3D Positive-Negative BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5223CATS3D_17_PNCATS3D Positive-Negative BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5224CATS3D_18_PNCATS3D Positive-Negative BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5225CATS3D_19_PNCATS3D Positive-Negative BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5226CATS3D_00_PLCATS3D Positive-Lipophilic BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5227CATS3D_01_PLCATS3D Positive-Lipophilic BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5228CATS3D_02_PLCATS3D Positive-Lipophilic BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5229CATS3D_03_PLCATS3D Positive-Lipophilic BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5230CATS3D_04_PLCATS3D Positive-Lipophilic BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5231CATS3D_05_PLCATS3D Positive-Lipophilic BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5232CATS3D_06_PLCATS3D Positive-Lipophilic BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5233CATS3D_07_PLCATS3D Positive-Lipophilic BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5234CATS3D_08_PLCATS3D Positive-Lipophilic BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5235CATS3D_09_PLCATS3D Positive-Lipophilic BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5236CATS3D_10_PLCATS3D Positive-Lipophilic BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5237CATS3D_11_PLCATS3D Positive-Lipophilic BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5238CATS3D_12_PLCATS3D Positive-Lipophilic BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5239CATS3D_13_PLCATS3D Positive-Lipophilic BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5240CATS3D_14_PLCATS3D Positive-Lipophilic BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5241CATS3D_15_PLCATS3D Positive-Lipophilic BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5242CATS3D_16_PLCATS3D Positive-Lipophilic BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5243CATS3D_17_PLCATS3D Positive-Lipophilic BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5244CATS3D_18_PLCATS3D Positive-Lipophilic BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5245CATS3D_19_PLCATS3D Positive-Lipophilic BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5246CATS3D_00_NNCATS3D Negative-Negative BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5247CATS3D_01_NNCATS3D Negative-Negative BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5248CATS3D_02_NNCATS3D Negative-Negative BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5249CATS3D_03_NNCATS3D Negative-Negative BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5250CATS3D_04_NNCATS3D Negative-Negative BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5251CATS3D_05_NNCATS3D Negative-Negative BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5252CATS3D_06_NNCATS3D Negative-Negative BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5253CATS3D_07_NNCATS3D Negative-Negative BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5254CATS3D_08_NNCATS3D Negative-Negative BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5255CATS3D_09_NNCATS3D Negative-Negative BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5256CATS3D_10_NNCATS3D Negative-Negative BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5257CATS3D_11_NNCATS3D Negative-Negative BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5258CATS3D_12_NNCATS3D Negative-Negative BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5259CATS3D_13_NNCATS3D Negative-Negative BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5260CATS3D_14_NNCATS3D Negative-Negative BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5261CATS3D_15_NNCATS3D Negative-Negative BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5262CATS3D_16_NNCATS3D Negative-Negative BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5263CATS3D_17_NNCATS3D Negative-Negative BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5264CATS3D_18_NNCATS3D Negative-Negative BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5265CATS3D_19_NNCATS3D Negative-Negative BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5266CATS3D_00_NLCATS3D Negative-Lipophilic BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5267CATS3D_01_NLCATS3D Negative-Lipophilic BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5268CATS3D_02_NLCATS3D Negative-Lipophilic BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5269CATS3D_03_NLCATS3D Negative-Lipophilic BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5270CATS3D_04_NLCATS3D Negative-Lipophilic BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5271CATS3D_05_NLCATS3D Negative-Lipophilic BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5272CATS3D_06_NLCATS3D Negative-Lipophilic BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5273CATS3D_07_NLCATS3D Negative-Lipophilic BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5274CATS3D_08_NLCATS3D Negative-Lipophilic BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5275CATS3D_09_NLCATS3D Negative-Lipophilic BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5276CATS3D_10_NLCATS3D Negative-Lipophilic BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5277CATS3D_11_NLCATS3D Negative-Lipophilic BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5278CATS3D_12_NLCATS3D Negative-Lipophilic BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5279CATS3D_13_NLCATS3D Negative-Lipophilic BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5280CATS3D_14_NLCATS3D Negative-Lipophilic BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5281CATS3D_15_NLCATS3D Negative-Lipophilic BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5282CATS3D_16_NLCATS3D Negative-Lipophilic BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5283CATS3D_17_NLCATS3D Negative-Lipophilic BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5284CATS3D_18_NLCATS3D Negative-Lipophilic BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5285CATS3D_19_NLCATS3D Negative-Lipophilic BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors
5286CATS3D_00_LLCATS3D Lipophilic-Lipophilic BIN 00 (0.000 - 1.000 Å)CATS 3D descriptors
5287CATS3D_01_LLCATS3D Lipophilic-Lipophilic BIN 01 (1.000 - 2.000 Å)CATS 3D descriptors
5288CATS3D_02_LLCATS3D Lipophilic-Lipophilic BIN 02 (2.000 - 3.000 Å)CATS 3D descriptors
5289CATS3D_03_LLCATS3D Lipophilic-Lipophilic BIN 03 (3.000 - 4.000 Å)CATS 3D descriptors
5290CATS3D_04_LLCATS3D Lipophilic-Lipophilic BIN 04 (4.000 - 5.000 Å)CATS 3D descriptors
5291CATS3D_05_LLCATS3D Lipophilic-Lipophilic BIN 05 (5.000 - 6.000 Å)CATS 3D descriptors
5292CATS3D_06_LLCATS3D Lipophilic-Lipophilic BIN 06 (6.000 - 7.000 Å)CATS 3D descriptors
5293CATS3D_07_LLCATS3D Lipophilic-Lipophilic BIN 07 (7.000 - 8.000 Å)CATS 3D descriptors
5294CATS3D_08_LLCATS3D Lipophilic-Lipophilic BIN 08 (8.000 - 9.000 Å)CATS 3D descriptors
5295CATS3D_09_LLCATS3D Lipophilic-Lipophilic BIN 09 (9.000 - 10.000 Å)CATS 3D descriptors
5296CATS3D_10_LLCATS3D Lipophilic-Lipophilic BIN 10 (10.000 - 11.000 Å)CATS 3D descriptors
5297CATS3D_11_LLCATS3D Lipophilic-Lipophilic BIN 11 (11.000 - 12.000 Å)CATS 3D descriptors
5298CATS3D_12_LLCATS3D Lipophilic-Lipophilic BIN 12 (12.000 - 13.000 Å)CATS 3D descriptors
5299CATS3D_13_LLCATS3D Lipophilic-Lipophilic BIN 13 (13.000 - 14.000 Å)CATS 3D descriptors
5300CATS3D_14_LLCATS3D Lipophilic-Lipophilic BIN 14 (14.000 - 15.000 Å)CATS 3D descriptors
5301CATS3D_15_LLCATS3D Lipophilic-Lipophilic BIN 15 (15.000 - 16.000 Å)CATS 3D descriptors
5302CATS3D_16_LLCATS3D Lipophilic-Lipophilic BIN 16 (16.000 - 17.000 Å)CATS 3D descriptors
5303CATS3D_17_LLCATS3D Lipophilic-Lipophilic BIN 17 (17.000 - 18.000 Å)CATS 3D descriptors
5304CATS3D_18_LLCATS3D Lipophilic-Lipophilic BIN 18 (18.000 - 19.000 Å)CATS 3D descriptors
5305CATS3D_19_LLCATS3D Lipophilic-Lipophilic BIN 19 (19.000 - 20.000 Å)CATS 3D descriptors