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ChEMBL: towards direct deposition of bioassay data
David Mendez1, Anna Gaulton1, A Patrícia Bento1
1European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.
Nucleic Acids Research
|November 7, 2018
Summary
The ChEMBL database now features improved assay data capture and a new deposition system. Its redesigned interface offers enhanced search and filtering for bioactivity data.
Area of Science:
- Bioinformatics
- Cheminformatics
- Drug Discovery
Background:
- ChEMBL is a comprehensive, open-access database of bioactive molecules.
- Previous versions were detailed in Nucleic Acids Research Database Issues (2012, 2014, 2017).
Purpose of the Study:
- To report significant updates to the ChEMBL database over the past two years.
- To highlight improvements in data handling, deposition, and user interface.
Main Methods:
- Enhanced data capture and representation of assay details.
- Implementation of a new data deposition system for updated and supplementary data.
- Complete redesign of the web interface with advanced search functionalities.
Main Results:
- More robust capture and representation of assay details.
- A new data deposition system enabling data set updates and supplementary data deposition.
- A redesigned web interface featuring enhanced search and filtering capabilities.
Conclusions:
- The updated ChEMBL database provides improved functionality for researchers.
- Enhanced data accessibility and usability support drug discovery efforts.
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