Focused Libraries and Focused Library Design

Each focused compound library is a set of compounds with a high predictability in silico affinity for a given protein target. Focused compound libraries dramatically reduce the number of substances for experimental activity assessment and increase the number of really strong inhibitors found among experimentally tested compounds.

• Our focused compound libraries possess an outstanding quality due to the high accuracy of docking and energy calculation. This is possible because a new paradigm in molecular modeling is applying quantum and molecular physics instead of statistical approaches.
• Our hit rate for predicted strong inhibitors is about 50%. This means that about 50 compounds from 100 library molecules chosen for experimental activity assessment are real inhibitors.
• Features of our focused compound libraries show the following advantages:
  • High Affinity
  • Compliance with Lipinski's drug-like parameters
  • High Selectivity
  • Low Toxicity
  • Patentability
• Our source compound library contains 3.7 million compounds available from stock.

You can download some examples of our focused libraries:
Analgesic Library
Antibacterial Library
Anticancer Library
GPCR Library
Ion Channels Library
Kinase Library
Nuclear Docking Library
Nuclear Similarity Library