George Papadatos

Publication Activity (10 Years)

Years Active: 2007-2017
Publications (10 Years): 6

Top Topics

Chemical Structures

Learning Models

Top Venues

J. Cheminformatics

Nucleic Acids Res.

J. Chem. Inf. Model.

Publications

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) (2017)
Andreas Verras, Chris L. Waller, Peter Gedeck, Darren V. S. Green, Thierry Kogej, Anandkumar Raichurkar, Manoranjan Panda, Anang A. Shelat, Julie Clark, R. Kiplin Guy, George Papadatos, Jeremy N. Burrows
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition. J. Chem. Inf. Model. 57 (3) (2017)
Eelke B. Lenselink, Niels ten Dijke, Brandon J. Bongers, George Papadatos, Herman W. T. van Vlijmen, Wojtek Kowalczyk, Adriaan P. IJzerman, Gerard J. P. van Westen
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set. J. Cheminformatics 9 (1) (2017)
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) (2016)
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) (2016)
Michal Nowotka, George Papadatos, Mark Davies, Nathan Dedman, Anne Hersey
Want Drugs? Use Python. CoRR (2016)
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) (2015)
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) (2015)
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) (2015)
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)
Stefan Senger, Luca Bartek, George Papadatos, Anna Gaulton
Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents. J. Cheminformatics 7 (2015)
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) (2014)
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) (2014)
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) (2014)
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) (2014)
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. 9 (10) (2013)
Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin
ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database. Bioinform. 29 (4) (2013)
George Papadatos, Muhammad Alkarouri, Valerie J. Gillet, Peter Willett, Visakan Kadirkamanathan, Christopher N. Luscombe, Gianpaolo Bravi, Nicola J. Richmond, Stephen D. Pickett, Jameed Hussain, John Pritchard, Anthony W. J. Cooper, Simon J. F. Macdonald
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity. J. Chem. Inf. Model. 50 (10) (2010)
George Papadatos, Anthony W. J. Cooper, Visakan Kadirkamanathan, Simon J. F. Macdonald, Iain M. McLay, Stephen D. Pickett, John Pritchard, Peter Willett, Valerie J. Gillet
Analysis of Neighborhood Behavior in Lead Optimization and Array Design. J. Chem. Inf. Model. 49 (2) (2009)
Beining Chen, Robert F. Harrison, George Papadatos, Peter Willett, David J. Wood, Xiao Qing Lewell, Paulette A. Greenidge, Nikolaus Stiefl
Evaluation of machine-learning methods for ligand-based virtual screening. J. Comput. Aided Mol. Des. 21 (1-3) (2007)