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Genomic-scale prioritization of drug targets: the TDR Targets database.
Published in:
2008
By:
- Agüero, Fernán;
- Al-Lazikani, Bissan;
- Aslett, Martin;
- Berriman, Matthew;
- Buckner, Frederick S.;
- Campbell, Robert K.;
- Carmona, Santiago;
- Carruthers, Ian M.;
- Chan, A. W. Edith;
- Chen, Feng;
- Crowther, Gregory J.;
- Doyle, Maria A.;
- Hertz-Fowler, Christiane;
- Hopkins, Andrew L.;
- McAllister, Gregg;
- Nwaka, Solomon;
- Overington, John P.;
- Pain, Arnab;
- Paolini, Gaia V.;
- Pieper, Ursula
Publication type:
research
How many drug targets are there?
Published in:
Nature Reviews Drug Discovery, 2006, v. 5, n. 12, p. 993, doi. 10.1038/nrd2199
By:
- Overington, John P.;
- Al-Lazikani, Bissan;
- Hopkins, Andrew L.
Publication type:
Article
The ChEMBL database in 2017.
Published in:
Nucleic Acids Research, 2017, v. 45, n. D1, p. D945, doi. 10.1093/nar/gkw1074
By:
- Gaulton, Anna;
- Hersey, Anne;
- Nowotka, Michał;
- Bento, A. Patrícia;
- Chambers, Jon;
- Mendez, David;
- Mutowo, Prudence;
- Atkinson, Francis;
- Bellis, Louisa J.;
- Cibrián-Uhalte, Elena;
- Davies, Mark;
- Dedman, Nathan;
- Karlsson, Anneli;
- Magariños, María Paula;
- Overington, John P.;
- Papadatos, George;
- Smit, Ines;
- Leach, Andrew R.
Publication type:
Article
SureChEMBL: a large-scale, chemically annotated patent document database.
Published in:
Nucleic Acids Research, 2016, v. 44, p. D1220, doi. 10.1093/nar/gkv1253
By:
- Papadatos, George;
- Davies, Mark;
- Dedman, Nathan;
- Chambers, Jon;
- Gaulton, Anna;
- Siddle, James;
- Koks, Richard;
- Irvine, Sean A.;
- Pettersson, Joe;
- Goncharoff, Nicko;
- Hersey, Anne;
- Overington, John P.
Publication type:
Article
ChEMBL web services: streamlining access to drug discovery data and utilities.
Published in:
Nucleic Acids Research, 2015, v. 43, n. W1, p. W612, doi. 10.1093/nar/gkv352
By:
- Davies, Mark;
- Nowotka, Michał;
- Papadatos, George;
- Dedman, Nathan;
- Gaulton, Anna;
- Atkinson, Francis;
- Bellis, Louisa;
- Overington, John P.
Publication type:
Article
The ChEMBL bioactivity database: an update.
Published in:
Nucleic Acids Research, 2014, v. 42, n. D1, p. D1083, doi. 10.1093/nar/gkt1031
By:
- Bento, A. Patrícia;
- Gaulton, Anna;
- Hersey, Anne;
- Bellis, Louisa J.;
- Chambers, Jon;
- Davies, Mark;
- Krüger, Felix A.;
- Light, Yvonne;
- Mak, Lora;
- McGlinchey, Shaun;
- Nowotka, Michal;
- Papadatos, George;
- Santos, Rita;
- Overington, John P.
Publication type:
Article
The EBI enzyme portal.
Published in:
Nucleic Acids Research, 2013, v. 41, p. D773, doi. 10.1093/nar/gks1112
By:
- Alcántara, Rafael;
- Onwubiko, Joseph;
- Hong Cao;
- de Matos, Paula;
- Cham, Jennifer A.;
- Jacobsen, Jules;
- Holliday, Gemma L.;
- Fischer, Julia D.;
- Rahman, Syed Asad;
- Jassal, Bijay;
- Goujon, Mikael;
- Rowland, Francis;
- Velankar, Sameer;
- López, Rodrigo;
- Overington, John P.;
- Kleywegt, Gerard J.;
- Hermjakob, Henning;
- O'Donovan, Claire;
- Martín, María Jesús;
- Thornton, Janet M.
Publication type:
Article
ChEMBL: a large-scale bioactivity database for drug discovery.
Published in:
Nucleic Acids Research, 2012, p. D1100, doi. 10.1093/nar/gkr777
By:
- Gaulton, Anna;
- Bellis, Louisa J.;
- Bento, A. Patricia;
- Chambers, Jon;
- Davies, Mark;
- Hersey, Anne;
- Light, Yvonne;
- McGlinchey, Shaun;
- Michalovich, David;
- Al-Lazikani, Bissan;
- Overington, John P.
Publication type:
Article
Artificial intelligence, drug repurposing and peer review.
Published in:
Nature Biotechnology, 2020, v. 38, n. 10, p. 1127, doi. 10.1038/s41587-020-0686-x
By:
- Levin, Jeremy M.;
- Oprea, Tudor I.;
- Davidovich, Sagie;
- Clozel, Thomas;
- Overington, John P.;
- Vanhaelen, Quentin;
- Cantor, Charles R.;
- Bischof, Evelyne;
- Zhavoronkov, Alex
Publication type:
Article
A ligand's-eye view of protein similarity.
Published in:
Nature Methods, 2013, v. 10, n. 2, p. 116, doi. 10.1038/nmeth.2339
By:
- van Westen, Gerard J P;
- Overington, John P
Publication type:
Article
Rational design of non-resistant targeted cancer therapies.
Published in:
Scientific Reports, 2017, p. 46632, doi. 10.1038/srep46632
By:
- Martínez-Jiménez, Francisco;
- Overington, John P.;
- Al-Lazikani, Bissan;
- Marti-Renom, Marc A.
Publication type:
Article
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.
Published in:
Journal of Biomedical Semantics, 2016, v. 7, p. 1, doi. 10.1186/s13326-016-0102-0
By:
- Mutowo, Prudence;
- Bento, A. Patrícia;
- Dedman, Nathan;
- Gaulton, Anna;
- Hersey, Anne;
- Lomax, Jane;
- Overington, John P.
Publication type:
Article
Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation.
Published in:
PLoS ONE, 2015, v. 10, n. 3, p. 1, doi. 10.1371/journal.pone.0121492
By:
- Mugumbate, Grace;
- Abrahams, Katherine A.;
- Cox, Jonathan A. G.;
- Papadatos, George;
- van Westen, Gerard;
- Lelièvre, Joël;
- Calus, Szymon T.;
- Loman, Nicholas J.;
- Ballell, Lluis;
- Barros, David;
- Overington, John P.;
- Besra, Gurdyal S.
Publication type:
Article
Annotating Human P-Glycoprotein Bioassay Data.
Published in:
Molecular Informatics, 2012, v. 31, n. 8, p. 599, doi. 10.1002/minf.201200059
By:
- Zdrazil, Barbara;
- Pinto, Marta;
- Vasanthanathan, Poongavanam;
- Williams, Antony J.;
- Balderud, Linda Zander;
- Engkvist, Ola;
- Chichester, Christine;
- Hersey, Anne;
- Overington, John P.;
- Ecker, Gerhard F.
Publication type:
Article
ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services.
Published in:
Challenges (20781547), 2014, v. 5, n. 2, p. 444, doi. 10.3390/challe5020444
By:
- Nowotka, Michał;
- Davies, Mark;
- Papadatos, George;
- Overington, John P.
Publication type:
Article
MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data.
Published in:
Challenges (20781547), 2014, v. 5, n. 2, p. 334, doi. 10.3390/challe5020334
By:
- Davies, Mark;
- Nowotka, Michał;
- Papadatos, George;
- Atkinson, Francis;
- van Westen, Gerard J. P.;
- Dedman, Nathan;
- Ochoa, Rodrigo;
- Overington, John P.
Publication type:
Article
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
Published in:
Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-42
By:
- van Westen, Gerard J. P.;
- Swier, Remco F.;
- Cortes-Ciriano, Isidro;
- Wegner, Jörg K.;
- Overington, John P.;
- Jzerman, Adriaan P. I.;
- van Vlijmen, Herman W. T.;
- Bender, Andreas
Publication type:
Article
UniChem: a unified chemical structure cross-referencing and identifier tracking system.
Published in:
Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-3
By:
- Chambers, Jon;
- Davies, Mark;
- Gaulton, Anna;
- Hersey, Anne;
- Velankar, Sameer;
- Petryszak, Robert;
- Hastings, Janna;
- Bellis, Louisa;
- McGlinchey, Shaun;
- Overington, John P.
Publication type:
Article
Mapping small molecule binding data to structural domains.
Published in:
BMC Bioinformatics, 2012, v. 13, n. Suppl 17, p. 1, doi. 10.1186/1471-2105-13-S17-S11
By:
- Kruger, Felix A.;
- Rostom, Raghd;
- Overington, John P.
Publication type:
Article
Improving the odds of drug development success through human genomics: modelling study.
Published in:
Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-54849-w
By:
- Hingorani, Aroon D.;
- Kuan, Valerie;
- Finan, Chris;
- Kruger, Felix A.;
- Gaulton, Anna;
- Chopade, Sandesh;
- Sofat, Reecha;
- MacAllister, Raymond J.;
- Overington, John P.;
- Hemingway, Harry;
- Denaxas, Spiros;
- Prieto, David;
- Casas, Juan Pablo
Publication type:
Article
Chemical, Target, and Bioactive Properties of Allosteric Modulation.
Published in:
PLoS Computational Biology, 2014, v. 10, n. 4, p. 1, doi. 10.1371/journal.pcbi.1003559
By:
- van Westen, Gerard J. P.;
- Gaulton, Anna;
- Overington, John P.
Publication type:
Article
Target Prediction for an Open Access Set of Compounds Active against <i>Mycobacterium tuberculosis</i>.
Published in:
PLoS Computational Biology, 2013, v. 9, n. 10, p. 1, doi. 10.1371/journal.pcbi.1003253
By:
- Martínez-Jiménez, Francisco;
- Papadatos, George;
- Yang, Lun;
- Wallace, Iain M.;
- Kumar, Vinod;
- Pieper, Ursula;
- Sali, Andrej;
- Brown, James R.;
- Overington, John P.;
- Marti-Renom, Marc A.
Publication type:
Article
Global Analysis of Small Molecule Binding to Related Protein Targets.
Published in:
PLoS Computational Biology, 2012, v. 8, n. 1, p. 1, doi. 10.1371/journal.pcbi.1002333
By:
- Kruger, Felix A.;
- Overington, John P.
Publication type:
Article
The druggable genome and support for target identification and validation in drug development.
Published in:
Science Translational Medicine, 2017, v. 9, n. 383, p. 1, doi. 10.1126/scitranslmed.aag1166
By:
- Finan, Chris;
- Gaulton, Anna;
- Kruger, Felix A.;
- Lumbers, R. Thomas;
- Shah, Tina;
- Engmann, Jorgen;
- Galver, Luana;
- Kelley, Ryan;
- Karlsson, Anneli;
- Santos, Rita;
- Overington, John P.;
- Hingorani, Aroon D.;
- Casas, Juan P.
Publication type:
Article
Computational and Practical Aspects of Drug Repositioning.
Published in:
Assay & Drug Development Technologies, 2015, v. 13, n. 6, p. 299, doi. 10.1089/adt.2015.29011.tiodrrr
By:
- Oprea, Tudor I.;
- Overington, John P.
Publication type:
Article
Classification and analysis of a large collection of in vivo bioassay descriptions.
Published in:
PLoS Computational Biology, 2017, v. 13, n. 7, p. 1, doi. 10.1371/journal.pcbi.1005641
By:
- Zwierzyna, Magdalena;
- Overington, John P.
Publication type:
Article
Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Published in:
Frontiers in Pharmacology, 2017, p. 1, doi. 10.3389/fphar.2017.00681
By:
- Mugumbate, Grace;
- Mendes, Vitor;
- Blaszczyk, Michal;
- Sabbah, Mohamad;
- Papadatos, George;
- Lelievre, Joel;
- Ballell, Lluis;
- Barros, David;
- Abell, Chris;
- Blundell, Tom L.;
- Overington, John P.
Publication type:
Article
Data Mining in Drug Discovery. Edited by Remy D. Hoffmann, Arnaud Gohier and Pavel Pospisil.
Published in:
ChemMedChem, 2014, v. 9, n. 8, p. 1907, doi. 10.1002/cmdc.201402194
By:
- Overington, John P.
Publication type:
Article
HOMSTRAD: A database of protein structure alignments for homologous families.
Published in:
1998
By:
- Mizuguchi, Kenji;
- Deane, Charlotte M.;
- Blundell, Tom L.;
- Overington, John P.
Publication type:
Other
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
Published in:
Bioinformatics, 2016, v. 32, n. 1, p. 85, doi. 10.1093/bioinformatics/btv529
By:
- Cortés-Ciriano, Isidro;
- van Westen, Gerard J. P.;
- Bouvier, Guillaume;
- Nilges, Michael;
- Overington, John P.;
- Bender, Andreas;
- Malliavin, Thérèse E.
Publication type:
Article
ADME SARfari: comparative genomics of drug metabolizing systems.
Published in:
2015
By:
- Davies, Mark;
- Dedman, Nathan;
- Hersey, Anne;
- Papadatos, George;
- Hall, Matthew D.;
- Cucurull-Sanchez, Lourdes;
- Jeffrey, Phil;
- Hasan, Samiul;
- Eddershaw, Peter J.;
- Overington, John P.
Publication type:
Product Review
diXa: a data infrastructure for chemical safety assessment.
Published in:
2015
By:
- Hendrickx, Diana M.;
- Aerts, Hugo J. W. L.;
- Caiment, Florian;
- Clark, Dominic;
- Ebbels, Timothy M. D.;
- Evelo, Chris T.;
- Gmuender, Hans;
- Hebels, Dennie G. A. J.;
- Herwig, Ralf;
- Hescheler, Jürgen;
- Jennen, Danyel G. J.;
- Jetten, Marlon J. A.;
- Kanterakis, Stathis;
- Keun, Hector C.;
- Matser, Vera;
- Overington, John P.;
- Pilicheva, Ekaterina;
- Sarkans, Ugis;
- Segura-Lepe, Marcelo P.;
- Sotiriadou, Isaia
Publication type:
Product Review
PPDMs—a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains.
Published in:
Bioinformatics, 2015, v. 31, n. 5, p. 776, doi. 10.1093/bioinformatics/btu711
By:
- Kruger, Felix A.;
- Gaulton, Anna;
- Nowotka, Michal;
- Overington, John P.
Publication type:
Article
The functional therapeutic chemical classification system.
Published in:
Bioinformatics, 2014, v. 30, n. 6, p. 876, doi. 10.1093/bioinformatics/btt628
By:
- Croset, Samuel;
- Overington, John P.;
- Rebholz-Schuhmann, Dietrich
Publication type:
Article
myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
Published in:
Bioinformatics, 2014, v. 30, n. 2, p. 298, doi. 10.1093/bioinformatics/btt666
By:
- Ochoa, Rodrigo;
- Davies, Mark;
- Papadatos, George;
- Atkinson, Francis;
- Overington, John P.
Publication type:
Article
Brain: biomedical knowledge manipulation.
Published in:
Bioinformatics, 2013, v. 29, n. 9, p. 1238, doi. 10.1093/bioinformatics/btt109
By:
- Croset, Samuel;
- Overington, John P.;
- Rebholz-Schuhmann, Dietrich
Publication type:
Article

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