Chemistry Component Collection for the SciTegic Platform

The Chemistry Collection offers a comprehensive suite of molecular property calculators, filters, and manipulators. This collection of modular components extends the standard capabilities of Pipeline Pilot to include compound processing and cheminformatics analyses.

Create protocols for a broad array of applications.

Compound library acquisition:

• Library cleanup and standardization
• Multiple library comparisons
• Substructure and similarity searching
• Extensive property profiling and subset selection

 

 Combinatorial library design:

• Scaffold and reaction driven enumeration combined with the separately available Modeling Collection:
• Structure activity modeling
• Compound clustering
• Maximal common substructure searching