Author details

Full Name

Anne Hersey

Affiliation

ORCID

Career Start Year

1989

Papers

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
33983732	Target-Based Evaluation of "Drug-Like" Properties and Ligand Efficiencies.	J Med Chem	2021
33507738	Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs.	Chem Res Toxicol	2021
33060801	Network integration and modelling of dynamic drug responses at multi-omics levels.	Commun Biol	2020
30631996	Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery.	J Cheminform	2019
33430932	Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery".	J Cheminform	2019
30398643	ChEMBL: towards direct deposition of bioassay data.	Nucleic Acids Res	2019
29276046	Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions.	Cell Chem Biol	2018
30351302	A large-scale dataset of in vivo pharmacology assay results.	Sci Data	2018
29567993	Unexplored therapeutic opportunities in the human genome.	Nat Rev Drug Discov	2018
29472638	Unexplored therapeutic opportunities in the human genome.	Nat Rev Drug Discov	2018
27903890	Pharos: Collating protein information to shed light on the druggable genome.	Nucleic Acids Res	2017
28602100	Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.	Expert Opin Drug Discov	2017
29026211	Legacy data sharing to improve drug safety assessment: the eTOX project.	Nat Rev Drug Discov	2017
27899665	Open Targets: a platform for therapeutic target identification and validation.	Nucleic Acids Res	2017
27899562	The ChEMBL database in 2017.	Nucleic Acids Res	2017
27910877	A comprehensive map of molecular drug targets.	Nat Rev Drug Discov	2017
27678076	A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.	J Biomed Semantics	2016
26582922	SureChEMBL: a large-scale, chemically annotated patent document database.	Nucleic Acids Res	2016
26194583	Chemical databases: curation or integration by user-defined equivalence?	Drug Discov Today Technol	2015
25964657	ADME SARfari: comparative genomics of drug metabolizing systems.	Bioinformatics	2015
26175909	A large-scale crop protection bioassay data set.	Sci Data	2015
26201396	Activity, assay and target data curation and quality in the ChEMBL database.	J Comput Aided Mol Des	2015
25221628	UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.	J Cheminform	2014
24214965	The ChEMBL bioactivity database: an update.	Nucleic Acids Res	2014
23317286	UniChem: a unified chemical structure cross-referencing and identifier tracking system.	J Cheminform	2013
21948594	ChEMBL: a large-scale bioactivity database for drug discovery.	Nucleic Acids Res	2012
23088264	Open data for drug discovery: learning from the biological community.	Future Med Chem	2012
23293680	Annotating Human P-Glycoprotein Bioassay Data.	Mol Inform	2012
21936816	Collation and data-mining of literature bioactivity data for drug discovery.	Biochem Soc Trans	2011
21320065	In-silico ADME models: a general assessment of their utility in drug discovery applications.	Current Topics in Medicinal Chemistry	2011
21358739	Probing the links between in vitro potency, ADMET and physicochemical parameters.	Nat Rev Drug Discov	2011
20566291	Pyrazolopyridazine alpha-2-delta-1 ligands for the treatment of neuropathic pain.	Bioorganic and Medicinal Chemistry Letters	2010
18467078	Pharmacokinetic/pharmacodynamic modelling of the EEG effects of opioids: the role of complex biophase distribution kinetics.	European Journal of Pharmaceutical Sciences	2008
17125249	Estimation of volume of distribution in humans from high throughput HPLC-based measurements of human serum albumin binding and immobilized artificial membrane partitioning.	Journal of Medicinal Chemistry	2006
16330496	Improving the in vitro prediction of in vivo central nervous system penetration: integrating permeability, P-glycoprotein efflux, and free fractions in blood and brain.	Journal of Pharmacology and Experimental Therapeutics	2006
15154749	Theoretical prediction of partition coefficients via molecular electrostatic and electronic properties.		2004
14642326	Quantitative relationship between rat intestinal absorption and Abraham descriptors.	European Journal of Medicinal Chemistry	2003
12667690	Evaluation of rat intestinal absorption data and correlation with human intestinal absorption.	European Journal of Medicinal Chemistry	2003
14592701	Blood-brain barrier transport of synthetic adenosine A1 receptor agonists in vitro: structure transport relationships.	European Journal of Pharmaceutical Sciences	2003
12126778	On the mechanism of human intestinal absorption.	European Journal of Medicinal Chemistry	2002
12425461	Rate-limited steps of human oral absorption and QSAR studies.	Pharmaceutical Research	2002
11672881	Correlation and prediction of a large blood-brain distribution data set--an LFER study.	European Journal of Medicinal Chemistry	2001
10661552	Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficients		2000
11028950	Estimation of molecular linear free energy relationship descriptors. 4. Correlation and prediction of cell permeation.	Pharmaceutical Research	2000
10608851	X-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificity.	Journal of Biological Chemistry	1999
10393564	Correlation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method.	Journal of Pharmaceutical Sciences	1999
1865333	A quantitative structure-activity relationship approach to the minimization of albumin binding.	Journal of Pharmaceutical Sciences	1991
2497747	A method for the comparative assessment of antioxidants as peroxyl radical scavengers.	Biochem Pharmacol	1989