Junes – Free Trial

Portfolio Item Junes – Free Trial

Junes is an intuitive chemoinformatics toolbox with  that simplifies chemical data visualisation, analysis and processing to accelerate innovation in molecular design, drug discovery, materials science and property prediction without coding.

Request now your dedicated free trial.

Software Type
For the security and privacy of your R&D projects, Junes is installed on your organisation's servers or workstations through Docker Containers.

Features

Junes includes a wide variety of features covering chemical data processing in a pharma, nutraceutical, industrial chemistry R&D project

Macro area
micro area
features
Chemical Structure Processing Chemical Data Representation and Conversion
  • File Format Conversion (SMILES, SDF and SELFIES)
  • BRICS Decomposition
  • Data Import/Export
Chemical Structure Processing Data Curation
  • Handle Missing Values
  • Duplicate Removal
  • Add Explicit Hydrogen
  • Error Correction
Molecular Representations and Features Molecular Fingerprints
  • Atom Pairs
  • Topological Torsions
  • MACCS Keys
  • Morgan/Circular Fingerprints
  • 2D Pharmacophore Fingerprints
  • Pattern Fingerprints
Molecular Representations and Features Molecular Descriptors
  • Functional Groups and Fragment Counts
  • Topological and Geometrical Descriptors
  • 2D Descriptors
  • 3D-Based Descriptors
Molecular Representations and Features Molecular Graphs Generation
  • Graph Generation Modes
  • Edge Features Encoding
  • Node Features Encoding
  • Flexible Export Options
Predictive Modeling Eco-Toxicity prediction 96 VEGA Models
ToxRead and ToxTree rule-based models
Cheminformatics Analysis and Visualization Cheminformatics Analysis Similarity Searching
Cheminformatics Analysis and Visualization Data Visualization Statistical Plots
Correlation Analysis
Chemical Space Visualization