Table 4. Commercial drug collections overlap with FDA small molecules drugs subset (1608 structures).
Chemical catalog | Total number of chemicals | FDA small molecule drugs overlap with stereochemistry specified (%) | FDA small molecule drugs overlap with stereochemistry omitted (%) | URL |
---|---|---|---|---|
Prestwick Chemical Library | 1280 | 740 (46%) | 824 (51%) | http://www.prestwickchemical.com/prestwick-chemical-library.html |
Selleckchem FDA-approved Drug Library | 978 | 595 (37%) | 670 (42%) | http://www.selleckchem.com/ |
MicroSource Discovery US Drug Collection | 1385 | 687 (43%) | 929 (58%) | http://msdiscovery.com |
eMolecules | 8 129 798 | 1208 (75%) | 1313 (82%) | https://www.emolecules.com/ |