Streamlining Small Molecule R&D with BIOVIA Pipeline Pilot
Strategies to Modernize Combinatorial Chemistry
Customer Stories
Chemistry Collections
A Comprehensive Suite of Applications for Chemistry Research
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
- Chemistry Collection
- ADMET 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. Seamlessly integration of several popular structural viewers including BIOVIA Discovery Studio Visualizer
and BIOVIA Insight for Excel. - 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
BIOVIA Enhanced Stereochemical Representation
Accurately represent the configuration of stereogenic centers within chemical structures
White Papers
Join the conversation in the BIOVIA Pipeline Pilot User Community!
What's New | Generative Experiences & Virtual Companions
Today marks a milestone in how the industry works. Virtual Companions — Aura, Leo, and Marie — are now globally available on the 3DEXPERIENCE platform SaaS, in the Age of Industrial AI.More than AI assistants, Virtual Companions are trusted experts who embody decades of industrial knowledge and know-how. They understand your intent, reason with Industry World Models grounded in the laws of physics
BIOVIA PIPELINE PILOT
XY Chart - Tick Mark Labels in Scientific Notation
Does anybody know a way to create an XY chart that uses scientific notation for the tick mark labels? I'm using log scale for the x-axis and want to have the tick marks in scientific notation for readability.
BIOVIA PIPELINE PILOT
LLM Components
Hi all!As you may have seen in the BIOVIA Pipeline Pilot 2026 Product Release Document, there are now two official ways to leverage LLMs:The new Generative Data Processing Collection runs models locally by downloading from Hugging FaceThe new Answers from LLM Chatbot (Openrouter) component (in the Document & Text Collection) accesses a variety of hosted models via OpenRouter.aiFor those who joined
BIOVIA PIPELINE PILOT
Also Discover
Biology Collections
Actionable Insights from Biology Data
Machine Learning & Analytics Collection
Validated Data Science Tools for The Scientific Data Analysis Cycle
BIOVIA Pipeline Pilot
Accelerate Innovation in Science and Engineering with AI and Machine Learning
Scientific Informatics
Transform Scientific Data into Knowledge
Imaging Collection
Advanced Image and Video Analytics with ML and Deep Learning
Document Search & Analysis Collections
Scientifically-aware Text Mining Capabilities
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