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What is Rapid Target-Focused Library Design about?

This document presents a rapid Python-based methodology for designing target-focused combinatorial libraries aimed at drug discovery. The method allows for the efficient generation of approximately 70,000 molecules per second using both reaction-based and production-based approaches, incorporating 3D molecular similarity for library refinement. Two specific libraries targeting p38 MAP kinase and COX2 were successfully constructed to demonstrate the effectiveness of the methodology in identifying good chemic

Author

leizhou

Language

EN