John P. Overington

Publication Activity (10 Years)

Years Active: 1994-2017
Publications (10 Years): 8

Top Topics

Mechanical Turk

Top Venues

Nucleic Acids Res.

J. Cheminformatics

PLoS Comput. Biol.

Publications

Magdalena Zwierzyna, John P. Overington
Classification and analysis of a large collection of in vivo bioassay descriptions. PLoS Comput. Biol. 13 (7) (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, Anneli Karlsson, María P. Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach
The ChEMBL database in 2017. Nucleic Acids Res. 45 (Database-Issue) (2017)
Gary Tresadern, Andrés A. Trabanco, Laura Pérez-Benito, John P. Overington, Herman W. T. van Vlijmen, Gerard J. P. van Westen
Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling. J. Chem. Inf. Model. 57 (12) (2017)
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, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha
Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Res. 45 (Database-Issue) (2017)
Serge Christmann-Franck, Gerard J. P. van Westen, George Papadatos, Fanny Beltran Escudie, Alexander Roberts, John P. Overington, Daniel Domine
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design? J. Chem. Inf. Model. 56 (9) (2016)
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
SureChEMBL: a large-scale, chemically annotated patent document database. Nucleic Acids Res. 44 (Database-Issue) (2016)
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Guillaume Bouvier, Michael Nilges, John P. Overington, Andreas Bender, Thérèse E. Malliavin
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel. Bioinform. 32 (1) (2016)
Prudence Mutowo-Meullenet, A. Patrícia Bento, Nathan Dedman, Anna Gaulton, Anne Hersey, Jane Lomax, John P. Overington
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL. J. Biomed. Semant. 7 (2016)
George Papadatos, Anna Gaulton, Anne Hersey, John P. Overington
Activity, assay and target data curation and quality in the ChEMBL database. J. Comput. Aided Mol. Des. 29 (9) (2015)
Mark Davies, Michal Nowotka, George Papadatos, Nathan Dedman, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, John P. Overington
ChEMBL web services: streamlining access to drug discovery data and utilities. Nucleic Acids Res. 43 (Webserver-Issue) (2015)
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, Stathis Kanterakis, Hector C. Keun, Vera Matser, John P. Overington, Ekaterina Pilicheva, Ugis Sarkans, Marcelo P. Segura-Lepe, Isaia Sotiriadou, Timo Wittenberger, Clemens Wittwehr, Antonella Zanzi, Jos C. S. Kleinjans
diXa: a data infrastructure for chemical safety assessment. Bioinform. 31 (9) (2015)
Felix A. Krüger, Anna Gaulton, Michal Nowotka, John P. Overington
PPDMs - a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains. Bioinform. 31 (5) (2015)
Mark Davies, Nathan Dedman, Anne Hersey, George Papadatos, Matthew D. Hall, Lourdes Cucurull-Sanchez, Phil Jeffrey, Samiul Hasan, Peter J. Eddershaw, John P. Overington
ADME SARfari: comparative genomics of drug metabolizing systems. Bioinform. 31 (10) (2015)
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
Semantic-Web Access to Patent Annotations. SWAT4LS (2015)
Nestor Alvaro, Mike Conway, Son Doan, Christoph Lofi, John P. Overington, Nigel Collier
Crowdsourcing Twitter annotations to identify first-hand experiences of prescription drug use. J. Biomed. Informatics 58 (2015)
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, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen
Scientific Lenses to Support Multiple Views over Linked Chemistry Data. ISWC (1) (2014)
Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann
The functional therapeutic chemical classification system. Bioinform. 30 (6) (2014)
Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington
myChEMBL: a virtual machine implementation of open data and cheminformatics tools. Bioinform. 30 (2) (2014)
Gerard J. P. van Westen, Anna Gaulton, John P. Overington
Chemical, Target, and Bioactive Properties of Allosteric Modulation. PLoS Comput. Biol. 10 (4) (2014)
Jon Chambers, Mark Davies, Anna Gaulton, George Papadatos, Anne Hersey, John P. Overington
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers. J. Cheminformatics 6 (1) (2014)
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, Rita Santos, John P. Overington
The ChEMBL bioactivity database: an update. Nucleic Acids Res. 42 (Database-Issue) (2014)
George Papadatos, Gerard J. P. van Westen, Samuel Croset, Rita Santos, Simone Trubian, John P. Overington
A document classifier for medicinal chemistry publications trained on the ChEMBL corpus. J. Cheminformatics 6 (1) (2014)
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, Sameer Velankar, Rodrigo Lopez, John P. Overington, Gerard J. Kleywegt, Henning Hermjakob, Claire O'Donovan, Maria Jesus Martin, Janet M. Thornton, Christoph Steinbeck
The EBI enzyme portal. Nucleic Acids Res. 41 (Database-Issue) (2013)
Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann
The Functional Therapeutic Chemical Classification System. ICBO (2013)
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
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J. Cheminformatics 5 (2013)
Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann
Brain: biomedical knowledge manipulation. Bioinform. 29 (9) (2013)
Jon Chambers, Mark Davies, Anna Gaulton, Anne Hersey, Sameer Velankar, Robert Petryszak, Janna Hastings, Louisa J. Bellis, Shaun McGlinchey, John P. Overington
UniChem: a unified chemical structure cross-referencing and identifier tracking system. J. Cheminformatics 5 (2013)
Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann
Brain, a Library for the OWL2 EL profile. OWLED (2013)
Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann
Brain, Biomedical Knowledge Manipulation. ICBO (2013)
Francisco Martínez-Jiménez, George Papadatos, Lun Yang, Iain M. Wallace, Vinod Kumar, Ursula Pieper, Andrej Sali, James R. Brown, John P. Overington, Marc A. Martí-Renom
. PLoS Comput. Biol. 9 (10) (2013)
Felix A. Krüger, Raghd Rostom, John P. Overington
Mapping small molecule binding data to structural domains. BMC Bioinform. 13 (S-17) (2012)
Felix A. Krüger, John P. Overington
Global Analysis of Small Molecule Binding to Related Protein Targets. PLoS Comput. Biol. 8 (1) (2012)
Jörg K. Wegner, Aaron D. Sterling, Rajarshi Guha, Andreas Bender, Jean-Loup Faulon, Janna Hastings, Noel M. O'Boyle, John P. Overington, Herman van Vlijmen, Egon L. Willighagen
Cheminformatics. Commun. ACM 55 (11) (2012)
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
ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 40 (Database-Issue) (2012)
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, Fernán Agüero
Designing and implementing chemoinformatic approaches in TDR Targets Database: linking genes to chemical compounds in tropical disease causing pathogens. BMC Bioinform. 11 (S-10) (2010)
Kenji Mizuguchi, Charlotte M. Deane, Tom L. Blundell, Mark S. Johnson, John P. Overington
JOY: protein sequence-structure representation and analysis. Bioinform. 14 (7) (1998)
Mark S. Johnson, John P. Overington, Yvonne Edwards, Alex C. W. May, Michael A. Rodionov
The Comparison of Structures and Sequences: Alignment, Searching and the Detection of Common Folds. HICSS (5) (1994)