Anna Gaulton

Anna Gaulton

UNVERIFIED PROFILE

Are you Anna Gaulton?   Register this Author

Register author
Anna Gaulton

Anna Gaulton

Publications by authors named "Anna Gaulton"

Are you Anna Gaulton?   Register this Author

38Publications

1131Reads

40Profile Views

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

J Cheminform 2019 Jan 10;11(1). Epub 2019 Jan 10.

Chemogenomics Team, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge, CB10 1SD, UK.

View Article

Download full-text PDF

Source
https://jcheminf.springeropen.com/articles/10.1186/s13321-01
Publisher Site
http://dx.doi.org/10.1186/s13321-018-0325-4DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690068PMC
January 2019

A large-scale dataset of in vivo pharmacology assay results.

Sci Data 2018 10 23;5:180230. Epub 2018 Oct 23.

European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.

View Article

Download full-text PDF

Source
http://www.nature.com/articles/sdata2018230
Publisher Site
http://dx.doi.org/10.1038/sdata.2018.230DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6206617PMC
October 2018

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

Expert Opin Drug Discov 2017 08 12;12(8):757-767. Epub 2017 Jun 12.

a European Molecular Biology Laboratory - European Bioinformatics Institute , Wellcome Genome Campus , Hinxton , UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1080/17460441.2017.1339032DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6321761PMC
August 2017

The ChEMBL database in 2017.

Nucleic Acids Res 2017 01 28;45(D1):D945-D954. Epub 2016 Nov 28.

European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/nar/gkw1074DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5210557PMC
January 2017

A comprehensive map of molecular drug targets.

Nat Rev Drug Discov 2017 01 2;16(1):19-34. Epub 2016 Dec 2.

European Molecular Biology Laboratory-European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridge CB10 1SD, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1038/nrd.2016.230DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6314433PMC
January 2017

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

J Biomed Semantics 2016 Sep 27;7(1):59. Epub 2016 Sep 27.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD, UK.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5039825PMC
http://dx.doi.org/10.1186/s13326-016-0102-0DOI Listing
September 2016

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

Nucleic Acids Res 2016 Jan 17;44(D1):D1220-8. Epub 2015 Nov 17.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/nar/gkv1253DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702887PMC
January 2016

A large-scale crop protection bioassay data set.

Sci Data 2015 7;2:150032. Epub 2015 Jul 7.

European Molecular Biology Laboratory -European Bioinformatics Institute, Wellcome Trust Genome Campus , Hinxton, Cambridgeshire CB10 1SD, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1038/sdata.2015.32DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4493826PMC
December 2015

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

J Cheminform 2015 Dec 6;7(1):49. Epub 2015 Oct 6.

European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s13321-015-0097-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4594083PMC
December 2015

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

J Comput Aided Mol Des 2015 Sep 23;29(9):885-96. Epub 2015 Jul 23.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridgeshire, CB10 1SD, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1007/s10822-015-9860-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4607714PMC
September 2015

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

Nucleic Acids Res 2015 Jul 16;43(W1):W612-20. Epub 2015 Apr 16.

European Molecular Biology Laboratory - European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/nar/gkv352DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489243PMC
July 2015

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

Drug Discov Today Technol 2015 Jul 11;14:17-24. Epub 2015 Mar 11.

European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.

View Article

Download full-text PDF

Source
https://linkinghub.elsevier.com/retrieve/pii/S17406749150000
Publisher Site
http://dx.doi.org/10.1016/j.ddtec.2015.01.005DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6294287PMC
July 2015

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

Bioinformatics 2015 Mar 27;31(5):776-8. Epub 2014 Oct 27.

ChEMBL group, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/bioinformatics/btu711DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4341065PMC
March 2015

The complex portal--an encyclopaedia of macromolecular complexes.

Nucleic Acids Res 2015 Jan 13;43(Database issue):D479-84. Epub 2014 Oct 13.

European Bioinformatics Institute (EMBL-EBI), European Molecular Biology Laboratory, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, United Kingdom.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/nar/gku975DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384031PMC
January 2015

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

J Cheminform 2014 Dec 4;6(1):43. Epub 2014 Sep 4.

ChEMBL, European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton Cambridge, CB10 1SD UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1186/s13321-014-0043-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158273PMC
December 2014

Transporter taxonomy - a comparison of different transport protein classification schemes.

Drug Discov Today Technol 2014 Jun;12:e37-46

University of Vienna, Department of Pharmaceutical Chemistry, Althanstrasse 14, 1090 Vienna, Austria.

View Article

Download full-text PDF

Source
https://linkinghub.elsevier.com/retrieve/pii/S17406749140001
Publisher Site
http://dx.doi.org/10.1016/j.ddtec.2014.03.004DOI Listing
June 2014

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

Drug Discov Today Technol 2014 Jun;12:e47-54

European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.ddtec.2014.03.005DOI Listing
June 2014

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

Bioinformatics 2014 May 11;30(9):1338-9. Epub 2014 Jan 11.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK and SIB Swiss Institute of Bioinformatics, Centre Medical Universitaire, 1211 Geneve, Switzerland.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1093/bioinformatics/btt765DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998127PMC
May 2014

Chemical, target, and bioactive properties of allosteric modulation.

PLoS Comput Biol 2014 Apr 3;10(4):e1003559. Epub 2014 Apr 3.

ChEMBL Group, European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Hinxton, United Kingdom.

View Article

Download full-text PDF

Source
http://dx.plos.org/10.1371/journal.pcbi.1003559
Publisher Site
http://dx.doi.org/10.1371/journal.pcbi.1003559DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3974644PMC
April 2014

The ChEMBL bioactivity database: an update.

Nucleic Acids Res 2014 Jan 7;42(Database issue):D1083-90. Epub 2013 Nov 7.

European Molecular Biology Laboratory European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.

View Article

Download full-text PDF

Source
https://nar.oxfordjournals.org/content/early/2013/11/07/nar.
Web Search
http://nar.oxfordjournals.org/lookup/doi/10.1093/nar/gkt1031
Publisher Site
http://dx.doi.org/10.1093/nar/gkt1031DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3965067PMC
January 2014

Visualizing the drug target landscape.

Drug Discov Today 2012 Feb 7;17 Suppl:S3-15. Epub 2011 Dec 7.

Computational Sciences Centre of Emphasis, Pfizer Global Research & Development, Ramsgate Road, Sandwich, Kent CT13 9NJ, UK.

View Article

Download full-text PDF

Source
https://linkinghub.elsevier.com/retrieve/pii/S13596446110043
Publisher Site
http://dx.doi.org/10.1016/j.drudis.2011.12.005DOI Listing
February 2012

ChEMBL: a large-scale bioactivity database for drug discovery.

Nucleic Acids Res 2012 Jan 23;40(Database issue):D1100-7. Epub 2011 Sep 23.

EMBL-European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.

View Article

Download full-text PDF

Source
https://academic.oup.com/nar/article-lookup/doi/10.1093/nar/
Publisher Site
http://dx.doi.org/10.1093/nar/gkr777DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3245175PMC
January 2012

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

Biochem Soc Trans 2011 Oct;39(5):1365-70

Computational Chemical Biology, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1042/BST0391365DOI Listing
October 2011

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

Future Med Chem 2010 Jun;2(6):903-7

View Article

Download full-text PDF

Source
http://dx.doi.org/10.4155/fmc.10.191DOI Listing
June 2010

Visualizing the drug target landscape.

Drug Discov Today 2010 Jan 17;15(1-2):3-15. Epub 2009 Oct 17.

Computational Sciences Centre of Emphasis, Pfizer Global Research & Development, Ramsgate Road, Sandwich, Kent CT13 9NJ, UK.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1016/j.drudis.2009.09.011DOI Listing
January 2010

Drug target central.

Expert Opin Drug Discov 2009 Aug;4(8):857-72

Pfizer Regenerative Medicine, Granta Park, Cambridge, UK +44 1304641575 ;

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1517/17460440903049290DOI Listing
August 2009

Functional assignment of MAPK phosphatase domains.

Proteins 2007 Oct;69(1):19-31

Faculty of Life Sciences, University of Manchester, Manchester, United Kingdom.

View Article

Download full-text PDF

Source
http://dx.doi.org/10.1002/prot.21477DOI Listing
October 2007

Motif3D: Relating protein sequence motifs to 3D structure.

Nucleic Acids Res 2003 Jul;31(13):3333-6

School of Biological Sciences and Department of Computer Science, University of Manchester, Manchester M13 9PT, UK.

View Article

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC168941PMC
http://dx.doi.org/10.1093/nar/gkg534DOI Listing
July 2003

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

Curr Opin Pharmacol 2003 Apr;3(2):114-20

School of Biological Sciences and Department of Computer Science, University of Manchester, Oxford Road, Manchester, M13 9PT, UK.

View Article

Download full-text PDF

Source
April 2003