1M Drug Fragment-Based Diversity Library

•   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.

Formulation:

精选 1,000,000 种带有药物片段的多样性化合物。每个分子至少有一个药物片段，这些药物片段来自 FDA 批准的 2,946 个药物分子。该库骨架多样性丰富，含有 702,902 个独特的 BMS 骨架，适用于 AI 药物筛选、大型虚拟筛选等。

Container:

Storage:

-80°C

Shipping: