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

Optimize absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties for therapeutic candidates is key to their development.

The ADMET Collection models various biological activities such as human intestinal absorption, plasma protein binding, hepatotoxicity, and more.

  • Rapidly profile compound collections for ADMET property distributions
  • Eliminate compounds with bad ADMET characteristics
  • Propose refinements to compounds to improve their ADMET properties
  • Blend ADMET properties with other data in reports

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!

Also Discover

pipeline pilot biology > Dassault Systemes
Biology Collections
  Actionable Insights from Biology Data
pipeline pilot machine learning analytics > Dassault Systemes
Machine Learning & Analytics Collection
Validated Data Science Tools for The Scientific Data Analysis Cycle   
BIOVIA Pipeline Pilot > Dassault Systemes
BIOVIA Pipeline Pilot
Accelerate Innovation in Science and Engineering with AI and Machine Learning
BIOVIA Scientific Informatics > Dassault Systemes
Scientific Informatics
Transform Scientific Data into Knowledge 
BIOVIA Products Pipeline pilot imaging > Dassault Systemes
Imaging Collection
Advanced Image and Video Analytics with ML and Deep Learning
BIOVIA Pipeline pilot document search > Dassault Systemes
Document Search & Analysis Collections
Scientifically-aware Text Mining Capabilities 
BIOVIA pipeline pilot lab analytics > Dassault Systemes
Laboratory Analytics Collections
Advancing Beyond a Digitalized Lab

Learn What BIOVIA Can Do for You

Speak with a BIOVIA expert to learn how our solutions enable seamless collaboration and sustainable innovation at organizations of every size.

Get Started

Courses and classes are available for students, academia, professionals and companies. Find the right BIOVIA training for you. 

Get Help

Find information on software & hardware certification, software downloads, user documentation, support contact and services offering