Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach. - James A. Platts; Darko Butina; Michael H. Abraham; Anne Hersey (J. Chem. Inf. Comput. Sci., 1999)

Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients. - James A. Platts; Michael H. Abraham; Darko Butina; Anne Hersey (J. Chem. Inf. Comput. Sci., 2000)

Theoretical Prediction of Partition Coefficients via Molecular Electrostatic and Electronic Properties. - Olivier Lamarche; James A. Platts; Anne Hersey (J. Chem. Inf. Model., 2004)

ChEMBL: a large-scale bioactivity database for drug discovery. - 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 (Nucleic Acids Res., 2012)

UniChem: a unified chemical structure cross-referencing and identifier tracking system. - Jon Chambers; Mark Davies; Anna Gaulton; Anne Hersey; Sameer Velankar; Robert Petryszak; Janna Hastings; Louisa J. Bellis; Shaun McGlinchey; John P. Overington (J. Cheminformatics, 2013)

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)

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; et al. (Nucleic Acids Res., 2014)

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)

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)

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL. - Prudence Mutowo-Meullenet; A. Patrícia Bento; Nathan Dedman; Anna Gaulton; Anne Hersey; Jane Lomax; John P. Overington (J. Biomed. Semant., 2016)

Want Drugs? Use Python. - Michal Nowotka; George Papadatos; Mark Davies; Nathan Dedman; Anne Hersey (CoRR, 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)

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; et al. (Nucleic Acids Res., 2017)

Open Targets: a platform for therapeutic target identification and validation. - 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; et al. (Nucleic Acids Res., 2017)

Pharos: Collating protein information to shed light on the druggable genome. - 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; et al. (Nucleic Acids Res., 2017)

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery. - Nicolas Bosc; Francis Atkinson; Eloy Felix; Anna Gaulton; Anne Hersey; Andrew R. Leach (J. Cheminformatics, 2019)

Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery". - Nicolas Bosc; Francis Atkinson; Eloy Felix; Anna Gaulton; Anne Hersey; Andrew R. Leach (J. Cheminformatics, 2019)

ChEMBL: towards direct deposition of bioassay data. - 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; et al. (Nucleic Acids Res., 2019)

An open source chemical structure curation pipeline using RDKit. - A. Patrícia Bento; Anne Hersey; Eloy Felix; Gregory A. Landrum; Anna Gaulton; Francis Atkinson; Louisa J. Bellis; Marleen De Veij; Andrew R. Leach (J. Cheminformatics, 2020)