Anna Gaulton

发表

A large-scale crop protection bioassay data set

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

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

George Papadatos, Anna Gaulton, Stefan Senger, 2015, Journal of Cheminformatics.

Minimum information about a bioactive entity (MIABE)

Peter Murray-Rust, John P. Overington, Henning Hermjakob, 2011, Nature Reviews Drug Discovery.

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.

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

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

PRINTS and PRINTS-S shed light on protein ancestry

Terri K. Attwood, Darren R. Flower, Anna Gaulton, 2002, Nucleic Acids Res..

Chapter 36. The Molecular Basis of Predicting Druggability

John P. Overington, Anna Gaulton, Bissan Al-Lazikani, 2008 .

The ChEMBL database in 2017

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

Scientific Lenses to Support Multiple Views over Linked Chemistry Data

Egon L. Willighagen, Chris T. A. Evelo, Christian Y. A. Brenninkmeijer, 2014, SEMWEB.

The Molecular Basis of Predicting Druggability

John P. Overington, Anna Gaulton, G. V. Paolini, 2008 .

A retrospective on how the application of data integration and visualisation has been used to connect disparate information sources into a drug-discovery focused, decision making environment. Visualizing the drug target landscape

Anna Gaulton, Jason Marshall, Lee Harland, 2010 .

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.

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

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

Reply to “Missed opportunities in 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.

PPDMs—a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains

John P. Overington, Anna Gaulton, Felix A. Krüger, 2014, Bioinform..

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

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

ChEMBL: a large-scale bioactivity database for drug discovery

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

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.

Open Targets: a platform for therapeutic target identification and validation

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

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.

The complex portal - an encyclopaedia of macromolecular complexes

Henning Hermjakob, Sameer Velankar, Anna Gaulton, 2014, Nucleic Acids Res..

ChEMBL web services: streamlining access to drug discovery data and utilities

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

Semantic-Web Access to Patent Annotations

George Papadatos, John P. Overington, Stian Soiland-Reyes, 2015, SWAT4LS.

An open source chemical structure curation pipeline using RDKit

Andrew R. Leach, Anne Hersey, Anna Gaulton, 2020, Journal of Cheminformatics.

Chemical, Target, and Bioactive Properties of Allosteric Modulation

Gerard J. P. van Westen, John P. Overington, Anna Gaulton, 2014, PLoS Comput. Biol..

ChEMBL: towards direct deposition of bioassay data

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

The ChEMBL bioactivity database: an update

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

The EBI RDF platform: linked open data for the life sciences

Andrew M. Jenkinson, Maria Jesus Martin, Nicolas Le Novère, 2014, Bioinform..

Drug target central

Anna Gaulton, Lee Harland, A. Gaulton, 2009, Expert opinion on drug discovery.

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

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

PRINTS and its automatic supplement, prePRINTS

Terri K. Attwood, Darren R. Flower, Anna Gaulton, 2003, Nucleic Acids Res..

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

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

Motif3D: relating protein sequence motifs to 3D structure

Terri K. Attwood, Anna Gaulton, T. Attwood, 2003, Nucleic Acids Res..

The Global Phosphorylation Landscape of SARS-CoV-2 Infection

Andrew R. Leach, Anna Gaulton, Aurelien Dugourd, 2020, Cell.

Role of open chemical data in aiding drug discovery and design.

John P. Overington, Anna Gaulton, John P Overington, 2010, Future medicinal chemistry.

Improving the odds of drug development success through human genomics: modelling study

Spiros Denaxas, John P. Overington, Anna Gaulton, 2019, Scientific Reports.

A large-scale dataset of in vivo pharmacology assay results

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

Transporter assays and assay ontologies: useful tools for drug discovery.

Barbara Zdrazil, John P. Overington, Anna Gaulton, 2014, Drug discovery today. Technologies.

Unexplored therapeutic opportunities in the human genome

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

Functional assignment of MAPK phosphatase domains

Anna Gaulton, Teresa K Attwood, Lydia Tabernero, 2007, Proteins.

The druggable genome and support for target identification and validation in drug development

John P. Overington, Anna Gaulton, Anneli Karlsson, 2016, Science Translational Medicine.

Unexplored therapeutic opportunities in the human genome

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

Bioinformatics approaches for the classification of G-protein-coupled receptors.

Anna Gaulton, Teresa K Attwood, T. Attwood, 2003, Current opinion in pharmacology.

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

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