John P. Overington

According to our database, John P. Overington authored at least 35 papers between 1994 and 2017.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

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., December, 2017

Classification and analysis of a large collection of in vivo bioassay descriptions.

Magdalena Zwierzyna, John P. Overington

PLoS Comput. Biol., 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, 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

Nucleic Acids Res., 2017

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, Anneli Karlsson, María P. Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach

Nucleic Acids Res., 2017

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

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

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

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, Thérèse E. Malliavin

Bioinform., 2016

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

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

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

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

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, 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

Bioinform., 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

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

Proceedings of the 8th Semantic Web Applications and Tools for Life Sciences International Conference, 2015

2014

Chemical, Target, and Bioactive Properties of Allosteric Modulation.

Gerard J. P. van Westen, Anna Gaulton, John P. Overington

PLoS Comput. Biol., 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, Rita Santos, John P. Overington

Nucleic Acids Res., 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

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

myChEMBL: a virtual machine implementation of open data and cheminformatics tools.

Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington

Bioinform., 2014

The functional therapeutic chemical classification system.

Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann

Bioinform., 2014

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, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen

Proceedings of the Semantic Web - ISWC 2014, 2014

2013

Target Prediction for an Open Access Set of Compounds Active against <i>Mycobacterium tuberculosis</i>.

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., 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, Sameer Velankar, Rodrigo Lopez, John P. Overington, Gerard J. Kleywegt, Henning Hermjakob, Claire O'Donovan, Maria Jesus Martin, Janet M. Thornton, Christoph Steinbeck

Nucleic Acids Res., 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

J. Cheminformatics, 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

Brain: biomedical knowledge manipulation.

Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann

Bioinform., 2013

Brain, a Library for the OWL2 EL profile.

Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann

Proceedings of the 10th International Workshop on OWL: Experiences and Directions (OWLED 2013) co-located with 10th Extended Semantic Web Conference (ESWC 2013), 2013

2012

Global Analysis of Small Molecule Binding to Related Protein Targets.

Felix A. Krüger, John P. Overington

PLoS Comput. Biol., 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

Cheminformatics.

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

Commun. ACM, 2012

Mapping small molecule binding data to structural domains.

Felix A. Krüger, Raghd Rostom, John P. Overington

BMC Bioinform., 2012

2010

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, Fernán Agüero

BMC Bioinform., 2010

1998

JOY: protein sequence-structure representation and analysis.

Kenji Mizuguchi, Charlotte M. Deane, Tom L. Blundell, Mark S. Johnson, John P. Overington

Bioinform., 1998

1994

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

Proceedings of the 27th Annual Hawaii International Conference on System Sciences (HICSS-27), 1994