George Papadatos

According to our database, George Papadatos authored at least 20 papers between 2007 and 2017.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2017

The ChEMBL database in 2017.

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

Nucleic Acids Res., 2017

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.

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

J. Chem. Inf. Model., 2017

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.

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

J. Cheminformatics, 2017

2016

SureChEMBL: a large-scale, chemically annotated patent document database.

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

Nucleic Acids Res., 2016

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?

Serge Christmann-Franck, Gerard J. P. van Westen, George Papadatos, Fanny Beltran Escudie, Alexander Roberts, John P. Overington, Daniel Domine

J. Chem. Inf. Model., 2016

Want Drugs? Use Python.

Michal Nowotka, George Papadatos, Mark Davies, Nathan Dedman, Anne Hersey

CoRR, 2016

2015

ChEMBL web services: streamlining access to drug discovery data and utilities.

Mark Davies, Michal Nowotka, George Papadatos, Nathan Dedman, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, John P. Overington

Nucleic Acids Res., 2015

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents.

Stefan Senger, Luca Bartek, George Papadatos, Anna Gaulton

J. Cheminformatics, 2015

Activity, assay and target data curation and quality in the ChEMBL database.

George Papadatos, Anna Gaulton, Anne Hersey, John P. Overington

J. Comput. Aided Mol. Des., 2015

ADME SARfari: comparative genomics of drug metabolizing systems.

Mark Davies, Nathan Dedman, Anne Hersey, George Papadatos, Matthew D. Hall, Lourdes Cucurull-Sanchez, Phil Jeffrey, Samiul Hasan, Peter J. Eddershaw, John P. Overington

Bioinform., 2015

Semantic-Web Access to Patent Annotations.

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

Proceedings of the 8th Semantic Web Applications and Tools for Life Sciences International Conference, 2015

2014

The ChEMBL bioactivity database: an update.

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

Nucleic Acids Res., 2014

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.

George Papadatos, Gerard J. P. van Westen, Samuel Croset, Rita Santos, Simone Trubian, John P. Overington

J. Cheminformatics, 2014

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.

Jon Chambers, Mark Davies, Anna Gaulton, George Papadatos, Anne Hersey, John P. Overington

J. Cheminformatics, 2014

myChEMBL: a virtual machine implementation of open data and cheminformatics tools.

Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington

Bioinform., 2014

2013

Target Prediction for an Open Access Set of Compounds Active against <i>Mycobacterium tuberculosis</i>.

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., 2013

ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin

Bioinform., 2013

2010

Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.

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

J. Chem. Inf. Model., 2010

2009

Analysis of Neighborhood Behavior in Lead Optimization and Array Design.

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

J. Chem. Inf. Model., 2009

2007

Evaluation of machine-learning methods for ligand-based virtual screening.

Beining Chen, Robert F. Harrison, George Papadatos, Peter Willett, David J. Wood, Xiao Qing Lewell, Paulette A. Greenidge, Nikolaus Stiefl

J. Comput. Aided Mol. Des., 2007