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ORCIDBibTeX records: George Papadatos
@article{DBLP:journals/jcheminf/LenselinkDBPVKI17,
author = {Eelke B. Lenselink and
Niels ten Dijke and
Brandon J. Bongers and
George Papadatos and
Herman W. T. van Vlijmen and
Wojtek Kowalczyk and
Adriaan P. IJzerman and
Gerard J. P. van Westen},
title = {Beyond the hype: deep neural networks outperform established methods
using a ChEMBL bioactivity benchmark set},
journal = {J. Cheminformatics},
volume = {9},
number = {1},
pages = {45},
year = {2017},
url = {https://doi.org/10.1186/s13321-017-0232-0},
doi = {10.1186/S13321-017-0232-0},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/LenselinkDBPVKI17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/VerrasWGGKRPSCG17,
author = {Andreas Verras and
Chris L. Waller and
Peter Gedeck and
Darren V. S. Green and
Thierry Kogej and
Anandkumar Raichurkar and
Manoranjan Panda and
Anang A. Shelat and
Julie Clark and
R. Kiplin Guy and
George Papadatos and
Jeremy N. Burrows},
title = {Shared Consensus Machine Learning Models for Predicting Blood Stage
Malaria Inhibition},
journal = {J. Chem. Inf. Model.},
volume = {57},
number = {3},
pages = {445--453},
year = {2017},
url = {https://doi.org/10.1021/acs.jcim.6b00572},
doi = {10.1021/ACS.JCIM.6B00572},
timestamp = {Sat, 05 Sep 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/VerrasWGGKRPSCG17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/GaultonHNBCMMAB17,
author = {Anna Gaulton and
Anne Hersey and
Michal Nowotka and
A. Patr{\'{\i}}cia Bento and
Jon Chambers and
David Mendez and
Prudence Mutowo{-}Meullenet and
Francis Atkinson and
Louisa J. Bellis and
Elena Cibri{\'{a}}n{-}Uhalte and
Mark Davies and
Nathan Dedman and
Anneli Karlsson and
Mar{\'{\i}}a P. Magari{\~{n}}os and
John P. Overington and
George Papadatos and
Ines Smit and
Andrew R. Leach},
title = {The ChEMBL database in 2017},
journal = {Nucleic Acids Res.},
volume = {45},
number = {Database-Issue},
pages = {D945--D954},
year = {2017},
url = {https://doi.org/10.1093/nar/gkw1074},
doi = {10.1093/NAR/GKW1074},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/GaultonHNBCMMAB17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Christmann-Franck16,
author = {Serge Christmann{-}Franck and
Gerard J. P. van Westen and
George Papadatos and
Fanny Beltran Escudie and
Alexander Roberts and
John P. Overington and
Daniel Domine},
title = {Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate
Prediction of Compound-Kinase Activities: {A} Way toward Selective
Promiscuity by Design?},
journal = {J. Chem. Inf. Model.},
volume = {56},
number = {9},
pages = {1654--1675},
year = {2016},
url = {https://doi.org/10.1021/acs.jcim.6b00122},
doi = {10.1021/ACS.JCIM.6B00122},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Christmann-Franck16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/PapadatosDDCGSK16,
author = {George Papadatos and
Mark Davies and
Nathan Dedman and
Jon Chambers and
Anna Gaulton and
James Siddle and
Richard Koks and
Sean A. Irvine and
Joe Pettersson and
Nicholas T. Goncharoff and
Anne Hersey and
John P. Overington},
title = {SureChEMBL: a large-scale, chemically annotated patent document database},
journal = {Nucleic Acids Res.},
volume = {44},
number = {Database-Issue},
pages = {1220--1228},
year = {2016},
url = {https://doi.org/10.1093/nar/gkv1253},
doi = {10.1093/NAR/GKV1253},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/PapadatosDDCGSK16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/corr/NowotkaPDDH16,
author = {Michal Nowotka and
George Papadatos and
Mark Davies and
Nathan Dedman and
Anne Hersey},
title = {Want Drugs? Use Python},
journal = {CoRR},
volume = {abs/1607.00378},
year = {2016},
url = {http://arxiv.org/abs/1607.00378},
eprinttype = {arXiv},
eprint = {1607.00378},
timestamp = {Mon, 13 Aug 2018 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/corr/NowotkaPDDH16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/DaviesDHPHCJHEO15,
author = {Mark Davies and
Nathan Dedman and
Anne Hersey and
George Papadatos and
Matthew D. Hall and
Lourdes Cucurull{-}Sanchez and
Phil Jeffrey and
Samiul Hasan and
Peter J. Eddershaw and
John P. Overington},
title = {{ADME} SARfari: comparative genomics of drug metabolizing systems},
journal = {Bioinform.},
volume = {31},
number = {10},
pages = {1695--1697},
year = {2015},
url = {https://doi.org/10.1093/bioinformatics/btv010},
doi = {10.1093/BIOINFORMATICS/BTV010},
timestamp = {Mon, 02 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/DaviesDHPHCJHEO15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/PapadatosGHO15,
author = {George Papadatos and
Anna Gaulton and
Anne Hersey and
John P. Overington},
title = {Activity, assay and target data curation and quality in the ChEMBL
database},
journal = {J. Comput. Aided Mol. Des.},
volume = {29},
number = {9},
pages = {885--896},
year = {2015},
url = {https://doi.org/10.1007/s10822-015-9860-5},
doi = {10.1007/S10822-015-9860-5},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/PapadatosGHO15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/SengerBPG15,
author = {Stefan Senger and
Luca Bartek and
George Papadatos and
Anna Gaulton},
title = {Managing expectations: assessment of chemistry databases generated
by automated extraction of chemical structures from patents},
journal = {J. Cheminformatics},
volume = {7},
pages = {49:1--49:12},
year = {2015},
url = {https://doi.org/10.1186/s13321-015-0097-z},
doi = {10.1186/S13321-015-0097-Z},
timestamp = {Mon, 16 Sep 2019 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcheminf/SengerBPG15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/DaviesNPDGABO15,
author = {Mark Davies and
Michal Nowotka and
George Papadatos and
Nathan Dedman and
Anna Gaulton and
Francis Atkinson and
Louisa J. Bellis and
John P. Overington},
title = {ChEMBL web services: streamlining access to drug discovery data and
utilities},
journal = {Nucleic Acids Res.},
volume = {43},
number = {Webserver-Issue},
pages = {W612--W620},
year = {2015},
url = {https://doi.org/10.1093/nar/gkv352},
doi = {10.1093/NAR/GKV352},
timestamp = {Sun, 17 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/DaviesNPDGABO15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/swat4ls/GaultonHDPLDDST15,
author = {Anna Gaulton and
Lee Harland and
Mark Davies and
George Papadatos and
Antonis Loizou and
Nathan Dedman and
Daniela Digles and
Stian Soiland{-}Reyes and
Valery Tkachenko and
Stefan Senger and
John P. Overington and
Nick Lynch},
editor = {James Malone and
Robert Stevens and
Kerstin Forsberg and
Andrea Splendiani},
title = {Semantic-Web Access to Patent Annotations},
booktitle = {Proceedings of the 8th Semantic Web Applications and Tools for Life
Sciences International Conference, Cambridge UK, December 7-10, 2015},
series = {{CEUR} Workshop Proceedings},
volume = {1546},
pages = {212--213},
publisher = {CEUR-WS.org},
year = {2015},
url = {https://ceur-ws.org/Vol-1546/poster\_59.pdf},
timestamp = {Fri, 10 Mar 2023 16:23:03 +0100},
biburl = {https://dblp.org/rec/conf/swat4ls/GaultonHDPLDDST15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/OchoaDPAO14,
author = {Rodrigo Ochoa and
Mark Davies and
George Papadatos and
Francis Atkinson and
John P. Overington},
title = {myChEMBL: a virtual machine implementation of open data and cheminformatics
tools},
journal = {Bioinform.},
volume = {30},
number = {2},
pages = {298--300},
year = {2014},
url = {https://doi.org/10.1093/bioinformatics/btt666},
doi = {10.1093/BIOINFORMATICS/BTT666},
timestamp = {Mon, 02 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/OchoaDPAO14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/PapadatosWCSTO14,
author = {George Papadatos and
Gerard J. P. van Westen and
Samuel Croset and
Rita Santos and
Simone Trubian and
John P. Overington},
title = {A document classifier for medicinal chemistry publications trained
on the ChEMBL corpus},
journal = {J. Cheminformatics},
volume = {6},
number = {1},
pages = {40},
year = {2014},
url = {https://doi.org/10.1186/s13321-014-0040-8},
doi = {10.1186/S13321-014-0040-8},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/PapadatosWCSTO14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcheminf/ChambersDGPHO14,
author = {Jon Chambers and
Mark Davies and
Anna Gaulton and
George Papadatos and
Anne Hersey and
John P. Overington},
title = {UniChem: extension of InChI-based compound mapping to salt, connectivity
and stereochemistry layers},
journal = {J. Cheminformatics},
volume = {6},
number = {1},
pages = {43},
year = {2014},
url = {https://doi.org/10.1186/s13321-014-0043-5},
doi = {10.1186/S13321-014-0043-5},
timestamp = {Wed, 14 Nov 2018 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcheminf/ChambersDGPHO14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/nar/BentoGHBCDKLMMNPSO14,
author = {A. Patr{\'{\i}}cia Bento and
Anna Gaulton and
Anne Hersey and
Louisa J. Bellis and
Jon Chambers and
Mark Davies and
Felix A. Kr{\"{u}}ger and
Yvonne Light and
Lora Mak and
Shaun McGlinchey and
Michal Nowotka and
George Papadatos and
Rita Santos and
John P. Overington},
title = {The ChEMBL bioactivity database: an update},
journal = {Nucleic Acids Res.},
volume = {42},
number = {Database-Issue},
pages = {1083--1090},
year = {2014},
url = {https://doi.org/10.1093/nar/gkt1031},
doi = {10.1093/NAR/GKT1031},
timestamp = {Sun, 17 May 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/nar/BentoGHBCDKLMMNPSO14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/bioinformatics/FechnerPEMBTB13,
author = {Nikolas Fechner and
George Papadatos and
David A. Evans and
John Richard Morphy and
Suzanne Clare Brewerton and
David A. Thorner and
Michael J. Bodkin},
title = {ChEMBLSpace - a graphical explorer of the chemogenomic space covered
by the ChEMBL database},
journal = {Bioinform.},
volume = {29},
number = {4},
pages = {523--524},
year = {2013},
url = {https://doi.org/10.1093/bioinformatics/bts711},
doi = {10.1093/BIOINFORMATICS/BTS711},
timestamp = {Mon, 02 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/bioinformatics/FechnerPEMBTB13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/ploscb/Martinez-JimenezPYWKPSBOM13,
author = {Francisco Mart{\'{\i}}nez{-}Jim{\'{e}}nez and
George Papadatos and
Lun Yang and
Iain M. Wallace and
Vinod Kumar and
Ursula Pieper and
Andrej Sali and
James R. Brown and
John P. Overington and
Marc A. Mart{\'{\i}}{-}Renom},
title = {Target Prediction for an Open Access Set of Compounds Active against
\emph{Mycobacterium tuberculosis}},
journal = {PLoS Comput. Biol.},
volume = {9},
number = {10},
year = {2013},
url = {https://doi.org/10.1371/journal.pcbi.1003253},
doi = {10.1371/JOURNAL.PCBI.1003253},
timestamp = {Thu, 10 Sep 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/ploscb/Martinez-JimenezPYWKPSBOM13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/PapadatosAG0KLBRPHPCM10,
author = {George Papadatos and
Muhammad Alkarouri and
Valerie J. Gillet and
Peter Willett and
Visakan Kadirkamanathan and
Christopher N. Luscombe and
Gianpaolo Bravi and
Nicola J. Richmond and
Stephen D. Pickett and
Jameed Hussain and
John Pritchard and
Anthony W. J. Cooper and
Simon J. F. Macdonald},
title = {Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual
Information for Enhanced Prediction of hERG Inhibition, Solubility,
and Lipophilicity},
journal = {J. Chem. Inf. Model.},
volume = {50},
number = {10},
pages = {1872--1886},
year = {2010},
url = {https://doi.org/10.1021/ci100258p},
doi = {10.1021/CI100258P},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/PapadatosAG0KLBRPHPCM10.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/PapadatosCKMMPP0G09,
author = {George Papadatos and
Anthony W. J. Cooper and
Visakan Kadirkamanathan and
Simon J. F. Macdonald and
Iain M. McLay and
Stephen D. Pickett and
John Pritchard and
Peter Willett and
Valerie J. Gillet},
title = {Analysis of Neighborhood Behavior in Lead Optimization and Array Design},
journal = {J. Chem. Inf. Model.},
volume = {49},
number = {2},
pages = {195--208},
year = {2009},
url = {https://doi.org/10.1021/ci800302g},
doi = {10.1021/CI800302G},
timestamp = {Fri, 06 Mar 2020 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/PapadatosCKMMPP0G09.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/ChenHP0WLGS07,
author = {Beining Chen and
Robert F. Harrison and
George Papadatos and
Peter Willett and
David J. Wood and
Xiao Qing Lewell and
Paulette A. Greenidge and
Nikolaus Stiefl},
title = {Evaluation of machine-learning methods for ligand-based virtual screening},
journal = {J. Comput. Aided Mol. Des.},
volume = {21},
number = {1-3},
pages = {53--62},
year = {2007},
url = {https://doi.org/10.1007/s10822-006-9096-5},
doi = {10.1007/S10822-006-9096-5},
timestamp = {Thu, 16 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/ChenHP0WLGS07.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
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