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 clustering : To 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 !