Advantages of Custom Compound Screening Sets
Custom compound libraries greatly improve screening campaign results. For example, when building a custom compound library design, we can assemble screening sets to maximize structural diversity when little is known about the target. We can also design screening sets that focus on a specific protein target or family, a desired therapeutic area, route of administration, or combinations thereof. Using 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, our team can create a library that best suits your needs.
Custom Compound Library Design Delivers Flexibility
Charles River’s CADD team can provide guidance, chemoinformatics capabilities and computational virtual screening services in the selection of compounds for screening.
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.
Compound Library Design 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
Application of Computational Tools and Techniques to Library Design
This webinar describes a knowledge-based approach to designing chemical compound libraries, which may yield benefits in hit identification programs such as enabling smaller, more targeted screens and more viable, higher quality hits.
Watch the Webinar
Frequently Asked Questions (FAQs) About Custom Compound Library Design
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What is custom compound library design?
Custom compound library design is a tailored approach to building a chemical library database. Created with your needs in mind, the custom compound library’s focused collection of compounds can speed the discovery and development process, allowing you to screen for viable drug candidates in your HTS campaigns.
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What are the benefits of working with Charles River for custom compound library design?
Charles River takes a multidisciplinary team approach to designing custom compound libraries to your specifications. Our biologists and chemists have deep experience medicinal chemistry and computer-aided drug design, access to sophisticated technologies, and can derive collections from libraries you are unlikely to find at other contract research organizations.
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What can you expect from Charles River’s custom compound library design services?
When you work with our team, you’ll get a screening library that suits your drug development plan. We may use a number of methodologies like virtual screening, synthetic route planning software, statistical model generation, DNA encoded Libraries, physicochemical property distribution and similarity/substructure searching to derive a custom collection that meets your needs.
In addition to our chemical compound library design we offer antibody screening libraries, cell line libraries, cDNA Libraries.