George Papadatos
George Papadatos
Verified email at gsk.com - Homepage
Title
Cited by
Cited by
Year
The ChEMBL bioactivity database: an update
AP Bento, A Gaulton, A Hersey, LJ Bellis, J Chambers, M Davies, ...
Nucleic acids research 42 (D1), D1083-D1090, 2014
12312014
The ChEMBL database in 2017
A Gaulton, A Hersey, M Nowotka, AP Bento, J Chambers, D Mendez, ...
Nucleic acids research 45 (D1), D945-D954, 2017
9932017
Open source drug discovery with the malaria box compound collection for neglected diseases and beyond
WC Van Voorhis, JH Adams, R Adelfio, V Ahyong, MH Akabas, P Alano, ...
PLoS pathogens 12 (7), e1005763, 2016
1852016
ChEMBL web services: streamlining access to drug discovery data and utilities
M Davies, M Nowotka, G Papadatos, N Dedman, A Gaulton, F Atkinson, ...
Nucleic acids research 43 (W1), W612-W620, 2015
1822015
Unexplored therapeutic opportunities in the human genome
TI Oprea, CG Bologa, S Brunak, A Campbell, GN Gan, A Gaulton, ...
Nature reviews Drug discovery 17 (5), 317, 2018
1572018
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
EB Lenselink, N Ten Dijke, B Bongers, G Papadatos, HWT Van Vlijmen, ...
Journal of cheminformatics 9 (1), 1-14, 2017
1452017
Evaluation of machine-learning methods for ligand-based virtual screening
B Chen, RF Harrison, G Papadatos, P Willett, DJ Wood, XQ Lewell, ...
Journal of computer-aided molecular design 21 (1), 53-62, 2007
1312007
Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of hERG inhibition, solubility, and lipophilicity
G Papadatos, M Alkarouri, VJ Gillet, P Willett, V Kadirkamanathan, ...
Journal of chemical information and modeling 50 (10), 1872-1886, 2010
1172010
SureChEMBL: a large-scale, chemically annotated patent document database
G Papadatos, M Davies, N Dedman, J Chambers, A Gaulton, J Siddle, ...
Nucleic acids research 44 (D1), D1220-D1228, 2016
1162016
Activity, assay and target data curation and quality in the ChEMBL database
G Papadatos, A Gaulton, A Hersey, JP Overington
Journal of computer-aided molecular design 29 (9), 885-896, 2015
1052015
Target prediction for an open access set of compounds active against Mycobacterium tuberculosis
F Martínez-Jiménez, G Papadatos, L Yang, IM Wallace, V Kumar, ...
PLoS Comput Biol 9 (10), e1003253, 2013
602013
Open source drug discovery: highly potent antimalarial compounds derived from the tres cantos arylpyrroles
AE Williamson, PM Ylioja, MN Robertson, Y Antonova-Koch, V Avery, ...
ACS central science 2 (10), 687-701, 2016
502016
Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum
VM Avery, S Bashyam, JN Burrows, S Duffy, G Papadatos, S Puthukkuti, ...
Malaria journal 13 (1), 1-12, 2014
502014
The ChEMBL database: a taster for medicinal chemists
G Papadatos, JP Overington
Future medicinal chemistry 6 (4), 361-364, 2014
492014
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
S Christmann-Franck, GJP van Westen, G Papadatos, F Beltran Escudie, ...
Journal of chemical information and modeling 56 (9), 1654-1675, 2016
402016
Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation
G Mugumbate, KA Abrahams, JAG Cox, G Papadatos, G van Westen, ...
PloS one 10 (3), e0121492, 2015
362015
Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery
MJ Rebollo-Lopez, J Lelièvre, D Alvarez-Gomez, J Castro-Pichel, ...
PloS one 10 (12), e0142293, 2015
302015
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers
J Chambers, M Davies, A Gaulton, G Papadatos, A Hersey, JP Overington
Journal of cheminformatics 6 (1), 1-10, 2014
302014
Analysis of neighborhood behavior in lead optimization and array design
G Papadatos, AWJ Cooper, V Kadirkamanathan, SJF Macdonald, ...
Journal of chemical information and modeling 49 (2), 195-208, 2009
282009
myChEMBL: a virtual machine implementation of open data and cheminformatics tools
R Ochoa, M Davies, G Papadatos, F Atkinson, JP Overington
Bioinformatics 30 (2), 298-300, 2014
222014
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Articles 1–20