The ChEMBL Database in 2023:ã drug disco v ery platf orm spanning multiple bioactivity data typesãnd time periods

Abstract

ChEMBL ( https:// www.ebi.ac.uk/ chembl/ ) isã manually curated, high-quality, large-scale, open, FAIRãnd Global Core Biodata Resource of bioac- tive molecules with drug-like properties, previously described in the 2012, 2014, 2017ãnd 2019 Nucleic Acids Research Database Issues. Since its introduction in 2009, ChEMBL's content has changed dramatically in sizeãnd diversity of data types. Through incorporation of multiple new datasets from depositors since the 2019 update, ChEMBL now contains slightly more bioactivity data from deposited data vs data extracted from literature. In collaboration with the EUbOPEN consortium, chemical probe data is now regularly deposited into ChEMBL. Release 27 made curated dataã vãilable f or compounds screened for potentialãnti-SARS-CoV-2ãctivity from se v eral large-scale drug repurposing screens. Inãd- dition, new patent bioactivity data ha v e beenãdded to the latest ChEMBL releases,ãnd various new features have been incorporated, includingã Natural P roduct lik eness score, updated flags for Natural Products,ã new flag for Chemical Probes,ãnd the initialãnnotation of theãction type for ∼270 0 0 0 bioactivit y measurements.