Push Chemistry-driven Innovations Forward

Chemical structures contain a wealth of valuable information, yet deriving it remains a challenge.

BIOVIA Pipeline Pilot Chemistry Collections offers a comprehensive suite of molecular property calculators, filters, and manipulators. This collection of modular components extends the standard capabilities of BIOVIA Pipeline Pilot to include compound processing and cheminformatics analyses. With these enhancements, users can create protocols for a broad array of chemistry applications.

Benefits of the Collection

 Access, process, model and deploy solutions to extract actionable insight from your chemical data. Key capabilities include:

  • Read and write chemistry data your way
    • Support of BIOVIA formats MOL file, SD, SDF, RG, SKC , XD, XDF, RXN, RD, RDF (BIOVIA Formats via MDL), other formats such as UDM, HELM 1 and 2, XHELM (Pistoia) or MOL2 (from Tripos), CDX, CDXML (from
      Perkin-Elmer) and public formats such as PDB.
  • View structural and molecular data with your preferred software
  • Apply data science and machine learning to chemistry
    • Extended Connectivity Fingerprints (ECFPs) help identify key structural features for searching, clustering and modeling applications
  • Filter and manipulate data via chemical properties
    • Prepare data for analysis with substructure filters,  Lipinski filters or create your own
  • Automate calculations and workflows
    • Calculate properties like AlogP, pKa, solubility, molecular weight, electrotopological indices and solvent accessible surface area for thousands of molecules in seconds
  • Clear up analysis with out of the box tools
    • Matched Molecular Pairs, Hierarchical Scaffold Classification, Quantitative Estimate of Drug-Likeness, Synthetic Accessibility and more

Start Your Journey

The world of chemistry research is changing. Discover how to stay a step ahead with BIOVIA

Join the conversation in the BIOVIA Pipeline Pilot User Community!

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