medchem

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.

medicinal-chemistrydrug-likenessPAINScompound-prioritization

ovachiever

81

chembl-database

Query ChEMBL's bioactive molecules and drug discovery data. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki), find inhibitors, perform SAR studies, for medicinal chemistry.

cheminformaticsdrug-discoverybioactivity-datamedicinal-chemistry

ovachiever

81