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Author Details

George Papadatos
European Molecular Biology Laboratory - European Bioinformatics Institute
2007
30
19
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
30251339Optimal Piecewise Linear Regression Algorithm for QSAR Modelling.Mol Inform2019
30251339Optimal Piecewise Linear Regression Algorithm for QSAR Modelling.Mol Inform2019
29567993Unexplored therapeutic opportunities in the human genome.Nat Rev Drug Discov2018
29567993Unexplored therapeutic opportunities in the human genome.Nat Rev Drug Discov2018
29472638Unexplored therapeutic opportunities in the human genome.Nat Rev Drug Discov2018
29472638Unexplored therapeutic opportunities in the human genome.Nat Rev Drug Discov2018
27899562The ChEMBL database in 2017.Nucleic Acids Res2017
29018348Target Identification of <i>Mycobacterium tuberculosis</i> Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.Front Pharmacol2017
29086168Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.J Cheminform2017
27899562The ChEMBL database in 2017.Nucleic Acids Res2017
28257198Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.J Chem Inf Model2017
28257198Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition.J Chem Inf Model2017
29086168Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.J Cheminform2017
29018348Target Identification of <i>Mycobacterium tuberculosis</i> Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.Front Pharmacol2017
27092246Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources.F1000Res2016
27092246Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources.F1000Res2016
27482722Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?J Chem Inf Model2016
27467575Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.PLoS Pathog2016
26582922SureChEMBL: a large-scale, chemically annotated patent document database.Nucleic Acids Res2016
27800551Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.ACS Cent Sci2016
26582922SureChEMBL: a large-scale, chemically annotated patent document database.Nucleic Acids Res2016
27800551Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles.ACS Cent Sci2016
27482722Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?J Chem Inf Model2016
27467575Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.PLoS Pathog2016
25799414Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation.PLoS One2015
25799414Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation.PLoS One2015
25883136ChEMBL web services: streamlining access to drug discovery data and utilities.Nucleic Acids Res2015
25964657ADME SARfari: comparative genomics of drug metabolizing systems.Bioinformatics2015
26175909A large-scale crop protection bioassay data set.Sci Data2015
26642067Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery.PLoS One2015
26457120Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents.J Cheminform2015
26201396Activity, assay and target data curation and quality in the ChEMBL database.J Comput Aided Mol Des2015
26457120Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents.J Cheminform2015
26642067Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery.PLoS One2015
26201396Activity, assay and target data curation and quality in the ChEMBL database.J Comput Aided Mol Des2015
26175909A large-scale crop protection bioassay data set.Sci Data2015
25883136ChEMBL web services: streamlining access to drug discovery data and utilities.Nucleic Acids Res2015
25964657ADME SARfari: comparative genomics of drug metabolizing systems.Bioinformatics2015
24262214myChEMBL: a virtual machine implementation of open data and cheminformatics tools.Bioinformatics2014
24214965The ChEMBL bioactivity database: an update.Nucleic Acids Res2014
24262214myChEMBL: a virtual machine implementation of open data and cheminformatics tools.Bioinformatics2014
25221628UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.J Cheminform2014
25221627A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.J Cheminform2014
24635517The ChEMBL database: a taster for medicinal chemists.Future Med Chem2014
24886460Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum.Malar J2014
25221628UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.J Cheminform2014
25221627A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.J Cheminform2014
24886460Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum.Malar J2014
24635517The ChEMBL database: a taster for medicinal chemists.Future Med Chem2014
24214965The ChEMBL bioactivity database: an update.Nucleic Acids Res2014
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Collaborators

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Co-authored papers 2
University of New Mexico School of Medicine
Co-authored papers 2
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Icahn School of Medicine at Mount Sinai
Co-authored papers 2
Institute for Data Science and Computing, University of Miami
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