about
Chemical databases: curation or integration by user-defined equivalence?The ChEMBL bioactivity database: an updateUniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layersAnnotating Human P-Glycoprotein Bioassay DataUniChem: a unified chemical structure cross-referencing and identifier tracking systemX-ray crystal structure of human dopamine sulfotransferase, SULT1A3. Molecular modeling and quantitative structure-activity relationship analysis demonstrate a molecular basis for sulfotransferase substrate specificityChEMBL: a large-scale bioactivity database for drug discoveryThe ChEMBL database in 2017A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBLActivity, assay and target data curation and quality in the ChEMBL databaseA large-scale crop protection bioassay data setEvaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors.Evaluation of rat intestinal absorption data and correlation with human intestinal absorption.Collation and data-mining of literature bioactivity data for drug discovery.Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.SureChEMBL: a large-scale, chemically annotated patent document database.Open Targets: a platform for therapeutic target identification and validationPharos: Collating protein information to shed light on the druggable genome.In-silico ADME models: a general assessment of their utility in drug discovery applications.Probing the links between in vitro potency, ADMET and physicochemical parameters.A comprehensive map of molecular drug targets.Pharmacokinetic/pharmacodynamic modelling of the EEG effects of opioids: the role of complex biophase distribution kinetics.ADME SARfari: comparative genomics of drug metabolizing systems.Open data for drug discovery: learning from the biological community.Legacy data sharing to improve drug safety assessment: the eTOX project.Pyrazolopyridazine alpha-2-delta-1 ligands for the treatment of neuropathic pain.Blood-brain barrier transport of synthetic adenosine A1 receptor agonists in vitro: structure transport relationships.Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target Interactions.Quantitative relationship between rat intestinal absorption and Abraham descriptors.On the mechanism of human intestinal absorption.Estimation of molecular linear free energy relationship descriptors. 4. Correlation and prediction of cell permeation.Estimation of molecular linear free energy relationship descriptors by a group contribution approach. 2. Prediction of partition coefficientsCorrelation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method.Unexplored therapeutic opportunities in the human genome.Improving the in vitro prediction of in vivo central nervous system penetration: integrating permeability, P-glycoprotein efflux, and free fractions in blood and brain.Estimation of Volume of Distribution in Humans from High Throughput HPLC-Based Measurements of Human Serum Albumin Binding and Immobilized Artificial Membrane PartitioningTheoretical Prediction of Partition Coefficients via Molecular Electrostatic and Electronic PropertiesRate-limited steps of human oral absorption and QSAR studiesA Quantitative Structure‒Activity Relationship Approach to the Minimization of Albumin BindingA method for the comparative assessment of antioxidants as peroxyl radical scavengers
P50
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P50
description
hulumtuese
@sq
researcher
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wetenschapper
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հետազոտող
@hy
name
Anne Hersey
@en
Anne Hersey
@es
Anne Hersey
@nl
Anne Hersey
@sl
type
label
Anne Hersey
@en
Anne Hersey
@es
Anne Hersey
@nl
Anne Hersey
@sl
prefLabel
Anne Hersey
@en
Anne Hersey
@es
Anne Hersey
@nl
Anne Hersey
@sl
P106
P21
P2456
P31
P496
0000-0003-4679-6211