At CheminoSolutions we are experts in Cheminformatics techniques. We use state-of-art Cheminformatics techniques. Our range of techniques include

  • RDKIT Cheminformatic toolkit
  • Library enumeration and design
  • Clustering
  • Matched Molecular pair analysis
  • Free Wilson Analysis
  • Multiparameter optimization
  • Sparse array design and analysis
  • Database and webservice development
  • Mountain

    Matched Molecular pair analysis

    We provide MMP analysis of public and propriety data using interactive Web-services.


    Free Wilson analysis

    Free-Wilson analysis is used to identify additivity in SAR data and to find the best combination of R-groups for a core.

    Shape matching


    A variety of clustering techniques are applied based on the problem at hand. The different clustering techniques include

  • Murcko Frame Work clustering
  • Butina clustering using RDKIT fingerprints
  • k nearest neighbour clustering
  • Clustering

    Sparse Array Design

    Sparse array design facilitates rapid exploration of SAR by synthesizing a balanced subset of compounds as opposed to an expensive all by all enumeration.

    Shape matching