What question did this study set out to answer?

To describe the expanded content, data types, and computational features introduced to the ChEMBL database in its 2023 update.

November 2, 2023Nucleic Acids ResearchOpen Access

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

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Authors

BZBarbara ZdrazilEuropean Bioinformatics Institute EFEloy FélixAstraZeneca (Brazil)FHFiona HunterEuropean Bioinformatics Institute

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Implication

Database report details expanded bioactivity datasets and computational annotations in ChEMBL, highlighting enhanced utility for open-access drug discovery.

Key Points

To describe the expanded content, data types, and computational features introduced to the ChEMBL database in its 2023 update.
Aggregated external data submissions, collaborative consortium data (including chemical probes from EUbOPEN), and patent literature alongside traditional manual literature curation.
Integrated screening datasets from large-scale drug repurposing efforts and implemented automated scoring metrics and bioactivity action annotations.
Total deposited bioactivity data surpassed literature-extracted data in volume across the database.
Incorporated large-scale anti-SARS-CoV-2 repurposing screen data (Release 27) and patent-derived bioactivity measurements.
Introduced a Natural Product likeness score, updated curation flags for natural products and chemical probes, and annotated action types for approximately 270,000 bioactivity measurements.

Cite This Study

Zdrazil et al. (2023) studied this question.

synapsesocial.com/papers/69d71bd7ef370a38abf50914 https://doi.org/10.1093/nar/gkad1004

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Implication

Database report details expanded bioactivity datasets and computational annotations in ChEMBL, highlighting enhanced utility for open-access drug discovery.

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Discussion

Member takes

Implication

Key Points

Cite This Study

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Discussion

Member takes

Implication

Key Points

Cite This Study

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