A. Hersey

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Theoretical Prediction of Partition Coefficients via Molecular Electrostatic and Electronic Properties

Olivier Lamarche, James A. Platts, Anne Hersey, 2004, J. Chem. Inf. Model..

Theoretical prediction of the polarity/polarizability parameter π2H

Olivier Lamarche, J. Platts, A. Hersey, 2001 .

A comprehensive map of molecular drug targets

Tudor I. Oprea, John P. Overington, B. Al-Lazikani, 2016, Nature Reviews Drug Discovery.

Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions

Elina Parri, Krister Wennerberg, Tero Aittokallio, 2017, Cell chemical biology.

Erratum: Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure–activity relationship (QSAR) with the Abraham descriptors*

J. Platts, A. Hersey, D. Butina, 2002 .

Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors.

G Beck, J. Platts, A. Hersey, 2001, Journal of pharmaceutical sciences.

In Silico Models to Predict Brain Uptake

Anne Hersey, Michael H. Abraham, A. Hersey, 2007 .

Collation and data-mining of literature bioactivity data for drug discovery.

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Biochemical Society transactions.

Pharmacokinetic/pharmacodynamic modelling of the EEG effects of opioids: the role of complex biophase distribution kinetics.

Anne Hersey, Meindert Danhof, A. Hersey, 2008, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Network integration and modelling of dynamic drug responses at multi-omics levels

Fiona M. I. Hunter, S. Heymans, Ugis Sarkans, 2020, Communications Biology.

X-ray Crystal Structure of Human Dopamine Sulfotransferase, SULT1A3

A. Hersey, R. Cooke, H. Jhoti, 1999, The Journal of Biological Chemistry.

A method for the comparative assessment of antioxidants as peroxyl radical scavengers.

A. Hersey, V. Darley-Usmar, L. Garland, 1989, Biochemical pharmacology.

Probing the links between in vitro potency, ADMET and physicochemical parameters

John P. Overington, Anne Hersey, John Overington, 2011, Nature Reviews Drug Discovery.

Unexplored therapeutic opportunities in the human genome

Anton Simeonov, Christian von Mering, Tudor I. Oprea, 2018, Nature Reviews Drug Discovery.

On the mechanism of human intestinal absorption.

Anne Hersey, Brad Sherborne, Michael H Abraham, 2002, European journal of medicinal chemistry.

A large-scale dataset of in vivo pharmacology assay results

Anne Hersey, Anna Gaulton, Nicolas Bosc, 2018, Scientific Data.

Quantitative relationship between rat intestinal absorption and Abraham descriptors.

Anne Hersey, Michael H Abraham, A. Hersey, 2003, European journal of medicinal chemistry.

pKa prediction in multiply-substituted phenols: A comparison of multiple linear regression and back-propagation

Anne Hersey, A. Hill, R. M. Hyde, 1993 .

Diffusion coefficients in ethanol and in water at 298 K: Linear free energy relationships

Anne Hersey, Michael H. Abraham, A. Hersey, 2011 .

Open data for drug discovery: learning from the biological community.

John P. Overington, Anne Hersey, Stefan Senger, 2012, Future medicinal chemistry.

Evaluation of rat intestinal absorption data and correlation with human intestinal absorption.

Anne Hersey, Brad Sherborne, Michael H Abraham, 2003, European journal of medicinal chemistry.

The Reliability and Validity of the ‘Rejection of Christianity Scale’ among Northern Irish Students

A. Hersey, J. Maltby, C. A. Lewis, 1999 .

An open source chemical structure curation pipeline using RDKit

A. Leach, A. Hersey, A. Gaulton, 2020, Journal of Cheminformatics.

Thermodynamic and kinetic study of the binding of azo-dyes to α-cyclodextrin

A. Hersey, B. Robinson, 1984 .

ChEMBL: towards direct deposition of bioassay data

Andrew R. Leach, Prudence Mutowo-Meullenet, Anne Hersey, 2018, Nucleic Acids Res..

The ChEMBL database in 2017

George Papadatos, Andrew R. Leach, Prudence Mutowo-Meullenet, 2016, Nucleic Acids Res..

ChEMBL: a large-scale bioactivity database for drug discovery

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Nucleic Acids Res..

Mechanism of inclusion-compound formation for binding of organic dyes, ions and surfactants to α-cyclodextrin studied by kinetic methods based on competition experiments

A. Hersey, B. Robinson, H. Kelly, 1986 .

Legacy data sharing to improve drug safety assessment: the eTOX project

Anne Hersey, Søren Brunak, Anthony J. Brookes, 2017, Nature Reviews Drug Discovery.

Estimation of Molecular Linear Free Energy Relationship Descriptors by a Group Contribution Approach. 2. Prediction of Partition Coefficients

James A. Platts, Anne Hersey, Michael H. Abraham, 2000, J. Chem. Inf. Comput. Sci..

Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach

James A. Platts, Anne Hersey, Michael H. Abraham, 1999, J. Chem. Inf. Comput. Sci..

Rate-Limited Steps of Human Oral Absorption and QSAR Studies

Anne Hersey, Michael H. Abraham, Brad Sherborne, 2002, Pharmaceutical Research.

Open Targets: a platform for therapeutic target identification and validation

Gautier Koscielny, Robert Petryszak, Maria Keays, 2016, Nucleic Acids Res..

Correlation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method.

A. Leo, J. Platts, A. Hersey, 1999, Journal of pharmaceutical sciences.

Pharos: Collating protein information to shed light on the druggable genome

Rajarshi Guha, Tudor I. Oprea, Larry A. Sklar, 2016, Nucleic Acids Res..

Annotating Human P-Glycoprotein Bioassay Data

Barbara Zdrazil, John P. Overington, Anne Hersey, 2012, Molecular informatics.

The ChEMBL bioactivity database: an update

George Papadatos, John P. Overington, Mark Davies, 2013, Nucleic Acids Res..

Unexplored therapeutic opportunities in the human genome

Anton Simeonov, Christian von Mering, Tudor I. Oprea, 2018, Nature Reviews Drug Discovery.

UniChem: a unified chemical structure cross-referencing and identifier tracking system

Robert Petryszak, John P. Overington, Mark Davies, 2013, Journal of Cheminformatics.

Correlation and prediction of a large blood-brain distribution data set--an LFER study.

J. Platts, A. Hersey, D. Butina, 2001, European journal of medicinal chemistry.

Target-based evaluation of ‘drug-like’ properties and ligand efficiencies

A. Leach, A. Hersey, P. Leeson, 2021, Journal of medicinal chemistry.

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Andrew R. Leach, Anne Hersey, Anna Gaulton, 2019, Journal of Cheminformatics.

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

George Papadatos, John P. Overington, Mark Davies, 2015, Nucleic Acids Res..

Multi-omics HeCaToS dataset of repeated dose toxicity for cardiotoxic & hepatotoxic compounds

Fiona M. I. Hunter, Christian Panse, Ugis Sarkans, 2022, Scientific Data.

ADME SARfari: comparative genomics of drug metabolizing systems

Samiul Hasan, George Papadatos, John P. Overington, 2015, Bioinform..

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery

Anne Hersey, Anna Gaulton, David Mendez, 2017, Expert opinion on drug discovery.

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs.

Fiona M. I. Hunter, A. Leach, A. Hersey, 2021, Chemical research in toxicology.

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

George Papadatos, John P. Overington, Anne Hersey, 2015, Journal of Computer-Aided Molecular Design.

Improving the in Vitro Prediction of in Vivo Central Nervous System Penetration: Integrating Permeability, P-glycoprotein Efflux, and Free Fractions in Blood and Brain

Phil Jeffrey, Sac-Pham Tang, Scott G Summerfield, 2006, Journal of Pharmacology and Experimental Therapeutics.

In-silico ADME models: a general assessment of their utility in drug discovery applications.

Supa Hannongbua, Anne Hersey, M Paul Gleeson, 2011, Current topics in medicinal chemistry.

A quantitative structure-activity relationship approach to the minimization of albumin binding.

R. M. Hyde, A. Hersey, E. Rahr, 1991, Journal of pharmaceutical sciences.

Blood-brain barrier transport of synthetic adenosine A1 receptor agonists in vitro: structure transport relationships.

A. Hersey, M. Danhof, A. IJzerman, 2003, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Estimation of volume of distribution in humans from high throughput HPLC-based measurements of human serum albumin binding and immobilized artificial membrane partitioning.

Anne Hersey, György Kéri, A. Hersey, 2006, Journal of medicinal chemistry.

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

George Papadatos, John P. Overington, Mark Davies, 2014, Journal of Cheminformatics.

Toxicogenomics Investigation Under the eTOX Project

John P. Overington, Anne Hersey, Søren Brunak, 2012 .

Chemical databases: curation or integration by user-defined equivalence?

John P. Overington, Anne Hersey, Anna Gaulton, 2015, Drug discovery today. Technologies.

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL

John P. Overington, A. Hersey, J. Lomax, 2016, Journal of Biomedical Semantics.

A large-scale crop protection bioassay data set

George Papadatos, John P. Overington, Mark Davies, 2015, Scientific Data.

A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL

Prudence Mutowo-Meullenet, John P. Overington, Anne Hersey, 2016, Journal of Biomedical Semantics.

Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions

John P. Overington, Suleiman A. Khan, A. Leach, 2017, Cell chemical biology.

Principles of method selection in partition studies

A. Hill, R. M. Hyde, A. Hersey, 1989 .