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2010 – 2019
- 2017
[j31]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): 2976-2985 (2017)- [j30]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): D945-D954 (2017) - [j29]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): D995-D1002 (2017) - [j28]Magdalena Zwierzyna, John P. Overington:
Classification and analysis of a large collection of in vivo bioassay descriptions. PLoS Comput. Biol. 13(7) (2017) - 2016
- [j27]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): 85-95 (2016) - [j26]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: 59 (2016) - [j25]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): 1654-1675 (2016) - [j24]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): 1220-1228 (2016) - 2015
- [j23]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): 776-778 (2015) - [j22]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): 1505-1507 (2015) - [j21]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): 1695-1697 (2015) - [j20]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: 280-287 (2015) - [j19]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): 885-896 (2015) - [j18]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): W612-W620 (2015) - [c6]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: 212-213 - 2014
- [j17]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): 298-300 (2014) - [j16]Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann:
The functional therapeutic chemical classification system. Bioinform. 30(6): 876-883 (2014) - [j15]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): 40 (2014) - [j14]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): 43 (2014) - [j13]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): 1083-1090 (2014) - [j12]Gerard J. P. van Westen, Anna Gaulton, John P. Overington:
Chemical, Target, and Bioactive Properties of Allosteric Modulation. PLoS Comput. Biol. 10(4) (2014) - [c5]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: 98-113 - 2013
- [j11]Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann:
Brain: biomedical knowledge manipulation. Bioinform. 29(9): 1238-1239 (2013) - [j10]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: 3 (2013) - [j9]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: 42 (2013) - [j8]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): 773-780 (2013) - [j7]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:
Target Prediction for an Open Access Set of Compounds Active against Mycobacterium tuberculosis. PLoS Comput. Biol. 9(10) (2013) - [c4]Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann:
Brain, Biomedical Knowledge Manipulation. ICBO 2013: 125 - [c3]Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann:
The Functional Therapeutic Chemical Classification System. ICBO 2013: 125 - [c2]Samuel Croset, John P. Overington, Dietrich Rebholz-Schuhmann:
Brain, a Library for the OWL2 EL profile. OWLED 2013 - 2012
- [j6]Felix A. Krüger, Raghd Rostom, John P. Overington:
Mapping small molecule binding data to structural domains. BMC Bioinform. 13(S-17): S11 (2012) - [j5]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): 65-75 (2012) - [j4]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): 1100-1107 (2012) - [j3]Felix A. Krüger, John P. Overington:
Global Analysis of Small Molecule Binding to Related Protein Targets. PLoS Comput. Biol. 8(1) (2012) - 2010
- [j2]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): O10 (2010)
1990 – 1999
- 1998
- [j1]Kenji Mizuguchi, Charlotte M. Deane, Tom L. Blundell, Mark S. Johnson, John P. Overington:
JOY: protein sequence-structure representation and analysis. Bioinform. 14(7): 617-623 (1998) - 1994
- [c1]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: 296-305
Coauthor Index
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