1. Screening Libraries
  2. Virtual Screening
  3. 1M Drug Fragment-Based Diversity Library
1M Drug Fragment-Based Diversity Library

Cat. No.: HY-L0113V

A diversity compound library contains 1,000,000 compounds with drug fragments. Each compound has at least one drug fragment. These selected molecules have 702,902 Bemis-Murcko Scaffolds (BMS) with drug-like chemical space. This library is highly recommended for AI-based lead discovery, ultra-large virtual screening and novel lead discovery.
  • Chinese National Compound Library
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Compound Screening Libraries

Product Details

•   Each selected compound contains a least one drug fragment. Each drug fragment are derived from 2946 FDA-approved drugs by BRICS and Recap algorithm and the simple fragment were removed.

•   1,000,000 drug-like compounds contain 702,902 unique BM scaffolds (Bemis-Murcko).

•   For each BM scaffold, 1 to 3 compounds with higher number of drug fragments were selected to occupy a broader ‘drug-like chemical space’.

•   Compounds passed all MedChem selection filters, particularly pan assay interference compound (PAINS) motifs, to remove any inappropriate chemical structures and avoid false hits.

Compound Customization
  •  Specific Compounds
  •  Quantities
  •  Plate Map
  •  Concentration
  •  Form (Solid or Solution)
  •  YES
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1M Drug Fragment-Based Diversity Library
Cat. No.:
HY-L0113V
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  • Chinese National Compound Library