The Comparison of Structures and Sequences: Alignment, Searching and the Detection of Common Folds. - Mark S. Johnson; John P. Overington; Yvonne Edwards; Alex C. W. May; Michael A. Rodionov (HICSS (5), 1994)

JOY: protein sequence-structure representation and analysis. - Kenji Mizuguchi; Charlotte M. Deane; Tom L. Blundell; Mark S. Johnson; John P. Overington (Bioinform., 1998)

Designing and implementing chemoinformatic approaches in TDR Targets Database: linking genes to chemical compounds in tropical disease causing pathogens. - María P. Magariños; John P. Overington; Santiago J. Carmona; Dhanasekaran Shanmugam; Maria A. Doyle; Stuart A. Ralph; Gregory J. Crowther; Christiane Hertz-Fowler; Solomon Nwaka; Matthew Berriman; David S. Roos; Wesley C. Van Voorhis; et al. (BMC Bioinform., 2010)

Mapping small molecule binding data to structural domains. - Felix A. Krüger; Raghd Rostom; John P. Overington (BMC Bioinform., 2012)

Cheminformatics. - Jörg K. Wegner; Aaron D. Sterling; Rajarshi Guha; Andreas Bender 002; Jean-Loup Faulon; Janna Hastings; Noel M. O'Boyle; John P. Overington; Herman van Vlijmen; Egon L. Willighagen (Commun. ACM, 2012)

ChEMBL: a large-scale bioactivity database for drug discovery. - Anna Gaulton; Louisa J. Bellis; A. Patrícia Bento; Jon Chambers; Mark Davies; Anne Hersey; Yvonne Light; Shaun McGlinchey; David Michalovich; Bissan Al-Lazikani; John P. Overington (Nucleic Acids Res., 2012)

Global Analysis of Small Molecule Binding to Related Protein Targets. - Felix A. Krüger; John P. Overington (PLoS Comput. Biol., 2012)

Brain, a Library for the OWL2 EL profile. - Samuel Croset; John P. Overington; Dietrich Rebholz-Schuhmann (OWLED, 2013)

Brain: biomedical knowledge manipulation. - Samuel Croset; John P. Overington; Dietrich Rebholz-Schuhmann (Bioinform., 2013)

UniChem: a unified chemical structure cross-referencing and identifier tracking system. - Jon Chambers; Mark Davies; Anna Gaulton; Anne Hersey; Sameer Velankar; Robert Petryszak; Janna Hastings; Louisa J. Bellis; Shaun McGlinchey; John P. Overington (J. Cheminformatics, 2013)

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. - Gerard J. P. van Westen; Remco F. Swier; Isidro Cortes-Ciriano; Jörg K. Wegner; John P. Overington; Adriaan P. IJzerman; Herman W. T. van Vlijmen; Andreas Bender 002 (J. Cheminformatics, 2013)

The EBI enzyme portal. - Rafael Alcántara; Joseph Onwubiko; Hong Cao; Paula de Matos; Jennifer A. Cham; Julius O. B. Jacobsen; Gemma L. Holliday; Julia D. Fischer; Syed Asad Rahman; Bijay Jassal; Mickael Goujon; Francis Rowland; et al. (Nucleic Acids Res., 2013)

Target Prediction for an Open Access Set of Compounds Active against Mycobacterium tuberculosis. - Francisco Martínez-Jiménez; George Papadatos; Lun Yang; Iain M. Wallace; Vinod Kumar; Ursula Pieper 001; Andrej Sali; James R. Brown; John P. Overington; Marc A. Martí-Renom (PLoS Comput. Biol., 2013)

Scientific Lenses to Support Multiple Views over Linked Chemistry Data. - Colin R. Batchelor; Christian Y. A. Brenninkmeijer; Christine Chichester; Mark Davies; Daniela Digles; Ian Dunlop; Chris T. A. Evelo; Anna Gaulton; Carole A. Goble; Alasdair J. G. Gray; Paul Groth; Lee Harland; et al. (ISWC (1), 2014)

The functional therapeutic chemical classification system. - Samuel Croset; John P. Overington; Dietrich Rebholz-Schuhmann (Bioinform., 2014)

myChEMBL: a virtual machine implementation of open data and cheminformatics tools. - Rodrigo Ochoa; Mark Davies; George Papadatos; Francis Atkinson; John P. Overington (Bioinform., 2014)

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers. - Jon Chambers; Mark Davies; Anna Gaulton; George Papadatos; Anne Hersey; John P. Overington (J. Cheminformatics, 2014)

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus. - George Papadatos; Gerard J. P. van Westen; Samuel Croset; Rita Santos; Simone Trubian; John P. Overington (J. Cheminformatics, 2014)

The ChEMBL bioactivity database: an update. - A. Patrícia Bento; Anna Gaulton; Anne Hersey; Louisa J. Bellis; Jon Chambers; Mark Davies; Felix A. Krüger; Yvonne Light; Lora Mak; Shaun McGlinchey; Michal Nowotka; George Papadatos; et al. (Nucleic Acids Res., 2014)

Chemical, Target, and Bioactive Properties of Allosteric Modulation. - Gerard J. P. van Westen; Anna Gaulton; John P. Overington (PLoS Comput. Biol., 2014)

Semantic-Web Access to Patent Annotations. - Anna Gaulton; Lee Harland; Mark Davies; George Papadatos; Antonis Loizou; Nathan Dedman; Daniela Digles; Stian Soiland-Reyes; Valery Tkachenko; Stefan Senger; John P. Overington; Nick Lynch (SWAT4LS, 2015)

ADME SARfari: comparative genomics of drug metabolizing systems. - Mark Davies; Nathan Dedman; Anne Hersey; George Papadatos; Matthew D. Hall; Lourdes Cucurull-Sanchez; Phil Jeffrey; Samiul Hasan; Peter J. Eddershaw; John P. Overington (Bioinform., 2015)

diXa: a data infrastructure for chemical safety assessment. - Diana M. Hendrickx; Hugo J. W. L. Aerts; Florian Caiment; Dominic Clark; Timothy M. D. Ebbels; Chris T. A. Evelo; Hans Gmuender; Dennie G. A. J. Hebels; Ralf Herwig; Jürgen Hescheler; Danyel G. J. Jennen; Marlon J. A. Jetten; et al. (Bioinform., 2015)

PPDMs - a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains. - Felix A. Krüger; Anna Gaulton; Michal Nowotka; John P. Overington (Bioinform., 2015)

Crowdsourcing Twitter annotations to identify first-hand experiences of prescription drug use. - Nestor Alvaro; Mike Conway; Son Doan; Christoph Lofi; John P. Overington; Nigel Collier (J. Biomed. Informatics, 2015)

Activity, assay and target data curation and quality in the ChEMBL database. - George Papadatos; Anna Gaulton; Anne Hersey; John P. Overington (J. Comput. Aided Mol. Des., 2015)

ChEMBL web services: streamlining access to drug discovery data and utilities. - Mark Davies; Michal Nowotka; George Papadatos; Nathan Dedman; Anna Gaulton; Francis Atkinson; Louisa J. Bellis; John P. Overington (Nucleic Acids Res., 2015)

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel. - Isidro Cortes-Ciriano; Gerard J. P. van Westen; Guillaume Bouvier; Michael Nilges; John P. Overington; Andreas Bender 002; Thérèse E. Malliavin (Bioinform., 2016)

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL. - Prudence Mutowo-Meullenet; A. Patrícia Bento; Nathan Dedman; Anna Gaulton; Anne Hersey; Jane Lomax; John P. Overington (J. Biomed. Semant., 2016)

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design? - Serge Christmann-Franck; Gerard J. P. van Westen; George Papadatos; Fanny Beltran Escudie; Alexander Roberts; John P. Overington; Daniel Domine (J. Chem. Inf. Model., 2016)

SureChEMBL: a large-scale, chemically annotated patent document database. - George Papadatos; Mark Davies; Nathan Dedman; Jon Chambers; Anna Gaulton; James Siddle; Richard Koks; Sean A. Irvine; Joe Pettersson; Nicholas T. Goncharoff; Anne Hersey; John P. Overington (Nucleic Acids Res., 2016)

The ChEMBL database in 2017. - Anna Gaulton; Anne Hersey; Michal Nowotka; A. Patrícia Bento; Jon Chambers; David Mendez; Prudence Mutowo-Meullenet; Francis Atkinson; Louisa J. Bellis; Elena Cibrián-Uhalte; Mark Davies; Nathan Dedman; et al. (Nucleic Acids Res., 2017)

Pharos: Collating protein information to shed light on the druggable genome. - Dac-Trung Nguyen; Stephen L. Mathias; Cristian Bologa; Søren Brunak; Nicolas F. Fernandez; Anna Gaulton; Anne Hersey; Jayme Holmes; Lars Juhl Jensen; Anneli Karlsson; Guixia Liu; Avi Ma'ayan; et al. (Nucleic Acids Res., 2017)

Classification and analysis of a large collection of in vivo bioassay descriptions. - Magdalena Zwierzyna; John P. Overington (PLoS Comput. Biol., 2017)

Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling. - Gary Tresadern; Andrés A. Trabanco; Laura Pérez-Benito; John P. Overington; Herman W. T. van Vlijmen; Gerard J. P. van Westen (J. Chem. Inf. Model., 2017)