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Complete list of descriptors calculated by Dragon 7

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