George Papadatos
George Papadatos
Email verificata su gsk.com - Home page
TitoloCitata daAnno
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
10152014
The ChEMBL database in 2017
A Gaulton, A Hersey, M Nowotka, AP Bento, J Chambers, D Mendez, ...
Nucleic acids research 45 (D1), D945-D954, 2016
4712016
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
1302016
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 (1-3), 53-62, 2007
1162007
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
1032010
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
942015
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, 2015
872015
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), 45, 2017
752017
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
722015
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
702018
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 computational biology 9 (10), e1003253, 2013
512013
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), 190, 2014
472014
The ChEMBL database: a taster for medicinal chemists
G Papadatos, JP Overington
Future medicinal chemistry 6 (4), 361-364, 2014
442014
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
352016
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
282015
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, 2008
252008
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), 43, 2014
242014
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
232016
Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery
MJ Rebollo-Lopez, J Lelievre, D Alvarez-Gomez, J Castro-Pichel, ...
PloS one 10 (12), e0142293, 2015
222015
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, 2013
202013
Il sistema al momento non puň eseguire l'operazione. Riprova piů tardi.
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