Anne Hersey

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2020 J jnl
An open source chemical structure curation pipeline using RDKit.
J. Cheminformatics
A. Patrícia Bento, Anne Hersey, Eloy Felix, Gregory A. Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach
2019 J jnl
ChEMBL: towards direct deposition of bioassay data.
Nucleic Acids Res.
David Mendez, Anna Gaulton, A. Patrícia Bento, Jon Chambers, Marleen De Veij, Eloy Felix, María P. Magariños, Juan F. Mosquera, Prudence Mutowo-Meullenet, Michal Nowotka, María Gordillo-Marañón, Fiona M. I. Hunter, Laura Junco, Grace Mugumbate, Milagros Rodríguez-López, Francis Atkinson, Nicolas Bosc, Chris J. Radoux, Aldo Segura-Cabrera, Anne Hersey, Andrew R. Leach
2019 J jnl
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery.
J. Cheminformatics
Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach
2019 J jnl
Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery".
J. Cheminformatics
Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach
2017 J jnl
Open Targets: a platform for therapeutic target identification and validation.
Nucleic Acids Res.
Gautier Koscielny, Peter An, Denise Carvalho-Silva, Jennifer A. Cham, Luca Fumis, Rippa Gasparyan, Samiul Hasan, Nikiforos Karamanis, Michael Maguire, Eliseo Papa, Andrea Pierleoni, Miguel Pignatelli, Theo Platt, Francis Rowland, Priyanka Wankar, A. Patrícia Bento, Tony Burdett, Antonio Fabregat, Simon A. Forbes, Anna Gaulton, Cristina Yenyxe González, Henning Hermjakob, Anne Hersey, Steven Jupe, Senay Kafkas, Maria Keays, Catherine Leroy, Francisco-Javier Lopez, María P. Magariños, James Malone, Johanna R. McEntyre, Alfonso Muñoz-Pomer Fuentes, Claire O'Donovan, Irene Papatheodorou, Helen E. Parkinson, Barbara Palka, Justin E. Paschall, Robert Petryszak, Naruemon Pratanwanich, Sirarat Sarntivijai, Gary Saunders, Konstantinos Sidiropoulos, Thomas Smith, Zbyslaw Sondka, Oliver Stegle, Y. Amy Tang, Edward Turner, Brendan W. Vaughan, Olga Vrousgou, Xavier Watkins, Maria Jesus Martin, Philippe Sanseau, Jessica Vamathevan, Ewan Birney, Jeffrey Barrett, Ian Dunham
2017 J jnl
Pharos: Collating protein information to shed light on the druggable genome.
Nucleic Acids Res.
Dac-Trung Nguyen, Stephen L. Mathias, Cristian Bologa, Søren Brunak, Nicolas F. Fernandez, Anna Gaulton, Anne Hersey, Jayme Holmes, Lars Juhl Jensen, Anneli Karlsson, Guixia Liu, Avi Ma'ayan, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha
2017 J jnl
The ChEMBL database in 2017.
Nucleic Acids Res.
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
2016 J jnl
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.
J. Biomed. Semant.
Prudence Mutowo-Meullenet, A. Patrícia Bento, Nathan Dedman, Anna Gaulton, Anne Hersey, Jane Lomax, John P. Overington
2016 J jnl
SureChEMBL: a large-scale, chemically annotated patent document database.
Nucleic Acids Res.
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
2016 J jnl
Want Drugs? Use Python.
CoRR
Michal Nowotka, George Papadatos, Mark Davies, Nathan Dedman, Anne Hersey
2015 J jnl
ADME SARfari: comparative genomics of drug metabolizing systems.
Bioinform.
Mark Davies, Nathan Dedman, Anne Hersey, George Papadatos, Matthew D. Hall, Lourdes Cucurull-Sanchez, Phil Jeffrey, Samiul Hasan, Peter J. Eddershaw, John P. Overington
2015 J jnl
Activity, assay and target data curation and quality in the ChEMBL database.
J. Comput. Aided Mol. Des.
George Papadatos, Anna Gaulton, Anne Hersey, John P. Overington
2014 J jnl
The ChEMBL bioactivity database: an update.
Nucleic Acids Res.
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
2014 J jnl
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.
J. Cheminformatics
Jon Chambers, Mark Davies, Anna Gaulton, George Papadatos, Anne Hersey, John P. Overington
2013 J jnl
UniChem: a unified chemical structure cross-referencing and identifier tracking system.
J. Cheminformatics
Jon Chambers, Mark Davies, Anna Gaulton, Anne Hersey, Sameer Velankar, Robert Petryszak, Janna Hastings, Louisa J. Bellis, Shaun McGlinchey, John P. Overington
2012 J jnl
ChEMBL: a large-scale bioactivity database for drug discovery.
Nucleic Acids Res.
Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani, John P. Overington
2004 J jnl
Theoretical Prediction of Partition Coefficients via Molecular Electrostatic and Electronic Properties.
J. Chem. Inf. Model.
Olivier Lamarche, James A. Platts, Anne Hersey
2000 J jnl
Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients.
J. Chem. Inf. Comput. Sci.
James A. Platts, Michael H. Abraham, Darko Butina, Anne Hersey
1999 J jnl
Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach.
J. Chem. Inf. Comput. Sci.
James A. Platts, Darko Butina, Michael H. Abraham, Anne Hersey