Further investigation of compounds is proposed through

  • unique molecular representations – spherical harmonics, 
  • clustering  – spherical harmonic based hierarchical clustering , 
  • literature mining – natural language processing 


We offer additional tools to study chemicals and generate valuable information :

    • 3D representation of chemicals :  Visualization through an interactive user-friendly  interface
    • Hierarchical clusteringTo select promising subgroups inside a chemical dataset
    • Natural Language Processing (NLP)To retrieve information (experimental assessment, doses, toxicity threshold, associated targets, …) from scientific literature.


By characterizing chemicals more comprehensively, we provide additional pieces of a rationale for making decisions

  • Visualization tools to help understand complexity
  • Classification of chemicals to detect beneficial features
  • Gathering data to expand knowledge and regulatory requirement regarding chemicals

For more details please contact us !