What question did this study set out to answer?

To establish and maintain an open-access, curated database aggregating binding, functional, and ADMET bioactivity data to accelerate chemical biology and drug discovery research.

September 23, 2011Nucleic Acids ResearchOpen Access

ChEMBL: a large-scale bioactivity database for drug discovery

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Authors

AGAnna GaultonSIB Swiss Institute of Bioinformatics LBLouisa J. BellisEuropean Bioinformatics Institute ABA. Patrícia BentoEuropean Bioinformatics Institute

Discussion

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Implication

Database report demonstrates a curated open-access repository of millions of bioactive measurements across thousands of protein targets, highlighting critical infrastructure for drug discovery.

Key Points

To establish and maintain an open-access, curated database aggregating binding, functional, and ADMET bioactivity data to accelerate chemical biology and drug discovery research.
Manually extracted quantitative bioactivity data from primary peer-reviewed scientific literature.
Standardized chemical representations, target annotations, and experimental endpoints to optimize data quality and cross-study comparison.
Engineered open-access dissemination pipelines through web interfaces, downloadable flat files, and web services.
Aggregated 5.4 million bioactivity measurements spanning more than 1 million bioactive, drug-like compounds.
Mapped bioactivity endpoints across 5,200 distinct biological protein targets.

Cite This Study

Gaulton et al. (2011) studied this question.

synapsesocial.com/papers/69955da0206d9796cebc4ec1 https://doi.org/10.1093/nar/gkr777

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September 23, 2011Nucleic Acids ResearchOpen Access

ChEMBL: a large-scale bioactivity database for drug discovery

View Full Paper

Ask AI

Bookmark

Authors

AGAnna GaultonSIB Swiss Institute of Bioinformatics LBLouisa J. BellisEuropean Bioinformatics Institute ABA. Patrícia BentoEuropean Bioinformatics Institute

Discussion

Member takes

Implication

Database report demonstrates a curated open-access repository of millions of bioactive measurements across thousands of protein targets, highlighting critical infrastructure for drug discovery.

Key Points

To establish and maintain an open-access, curated database aggregating binding, functional, and ADMET bioactivity data to accelerate chemical biology and drug discovery research.
Manually extracted quantitative bioactivity data from primary peer-reviewed scientific literature.
Standardized chemical representations, target annotations, and experimental endpoints to optimize data quality and cross-study comparison.
Engineered open-access dissemination pipelines through web interfaces, downloadable flat files, and web services.
Aggregated 5.4 million bioactivity measurements spanning more than 1 million bioactive, drug-like compounds.
Mapped bioactivity endpoints across 5,200 distinct biological protein targets.

Cite This Study

Gaulton et al. (2011) studied this question.

synapsesocial.com/papers/69955da0206d9796cebc4ec1 https://doi.org/10.1093/nar/gkr777

View Full Paper

Ask AI

Bookmark