Compound Library Design

Screening the right set of compounds for your program greatly enhances the chance of success. Independent of the level of information already known about your target, Charles River can design an appropriate screening set from its extensive screening libraries to suit your requirements and budget. Screening sets can be assembled to maximize structural diversity or to be focused towards a particular protein target or family, a specific therapeutic area, route of administration, or combinations thereof.

Focused selections are achieved with an array of industry-standard and proprietary software including structure- and ligand-based virtual screening, statistical model generation, physicochemical property distribution and similarity/substructure searching. Where little or no information is known about the target, screening sets are generated that maximize the diversity.

The chemical space around resulting screening hits can be rapidly explored utilizing our proprietary hit expansion software tools to generate a robust SAR platform on which to confidently base a medicinal chemistry program.

Computational Methodologies

  • Structure-based virtual screening from crystal structures or homology models
  • Ligand-based virtual screening based on known active compounds
  • Similarity/substructure searching around known active compounds
  • Statistical/categorical model generation based around known active compounds
  • Physicochemical property-driven selections

You may also be interested in...

drug researcher viewing study data on computer in lab

Screening Libraries

We offer one of the most powerful screening platforms in the industry with over 850,000 unique chemical compounds.