Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs

The safety of marketed drugs is an
ongoing concern, with some of
the more frequently prescribed medicines resulting in serious or life-threatening
adverse effects in some patients. Safety-related information for approved
drugs has been curated to include the assignment of toxicity class­(es)
based on their withdrawn status and/or black box warning information
described on medicinal product labels. The ChEMBL resource contains
a wide range of bioactivity data types, from early “Discovery”
stage preclinical data for individual compounds through to postclinical
data on marketed drugs; the inclusion of the curated drug safety data
set within this framework can support a wide range of safety-related
drug discovery questions. The curated drug safety data set will be
made freely available through ChEMBL and updated in future database
releases.