Anna Gaulton

Research Statement

AI generated · Oct 26, 2026

Anna Gaulton's indexed work centers on open bioactivity data infrastructure for drug discovery, most prominently the ChEMBL database, whose 2011 description as a large-scale resource for drug discovery remains her most-cited first-author contribution (over 4,000 citations). She has continued to steward that resource through subsequent releases, including the 2017 ChEMBL update and later expansions spanning multiple bioactivity data types and time periods. Earlier in her career, her focus list shows a complementary thread on computational classification of G-protein-coupled receptors, linking sequence motifs to three-dimensional structure and ligand-based hierarchies. Beyond these lead-author works, Gaulton contributed as a middle author to a comprehensive map of molecular drug targets and to consortium efforts mapping the druggable genome for target identification and validation, alongside Andrew R. Leach. Her senior-author work includes assessing chemistry databases generated by automated patent extraction and releasing a large-scale crop protection bioassay data set. No software tools, datasets, or grants are indexed beyond these publications. Taken together, the named works trace a consistent line of inquiry: building, curating, and critically evaluating open chemical and bioactivity resources that support target assessment and drug discovery.

Most Cited Works

ChEMBL: a large-scale bioactivity database for drug discovery

Anna Gaulton, Louisa J Bellis, A Patricia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani, John P Overington

Nucleic Acids Research2011

4,365Citations

A comprehensive map of molecular drug targets

Rita Santos, Oleg Ursu, Anna Gaulton, A Patrícia Bento, Ramesh S Donadi, Cristian G Bologa

Research Areas

Computational Drug Discovery MethodsBiomedical Text Mining and OntologiesBioinformatics and Genomic NetworksResearch Data Management PracticesGenetic Associations and Epidemiology

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Sources

Research Statement

Most Cited Works

ChEMBL: a large-scale bioactivity database for drug discovery

A comprehensive map of molecular drug targets

Research Areas

The ChEMBL database in 2017

ChEMBL: towards direct deposition of bioassay data

The ChEMBL bioactivity database: an update