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ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary published literature on a regular basis, then further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 5.4 million bioactivity measurements for more than 1 million compounds and 5200 protein targets. Access is available through a web-based interface, data downloads and web services at: https://www.ebi.ac.uk/chembldb.
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Gaulton et al. (Fri,) studied this question.
synapsesocial.com/papers/69955da0206d9796cebc4ec1 — DOI: https://doi.org/10.1093/nar/gkr777
Anna Gaulton
SIB Swiss Institute of Bioinformatics
Louisa J. Bellis
European Bioinformatics Institute
A. Patrícia Bento
European Bioinformatics Institute
Nucleic Acids Research
European Bioinformatics Institute
Institute of Cancer Research
Scientific Consulting Group
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