Anna Gaulton

According to our database, Anna Gaulton authored at least 26 papers between 2002 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Biomedical data analyses facilitated by open cheminformatics workflows.

Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil

J. Cheminformatics, December, 2023

2020

An open source chemical structure curation pipeline using RDKit.

A. Patrícia Bento, Anne Hersey, Eloy Felix, Gregory A. Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach

J. Cheminformatics, 2020

2019

ChEMBL: towards direct deposition of bioassay data.

David Mendez, Anna Gaulton, A. Patrícia Bento, Jon Chambers, Marleen De Veij, Eloy Felix, María P. Magariños, Juan F. Mosquera, Prudence Mutowo-Meullenet, Michal Nowotka, María Gordillo-Marañón, Fiona M. I. Hunter, Laura Junco, Grace Mugumbate, Milagros Rodríguez-López, Francis Atkinson, Nicolas Bosc, Chris J. Radoux, Aldo Segura-Cabrera, Anne Hersey, Andrew R. Leach

Nucleic Acids Res., 2019

Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery".

Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach

J. Cheminformatics, 2019

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

Nicolas Bosc, Francis Atkinson, Eloy Felix, Anna Gaulton, Anne Hersey, Andrew R. Leach

J. Cheminformatics, 2019

2017

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

Dac-Trung Nguyen, Stephen L. Mathias, Cristian Bologa, Søren Brunak, Nicolas F. Fernandez, Anna Gaulton, Anne Hersey, Jayme Holmes, Lars Juhl Jensen, Anneli Karlsson, Guixia Liu, Avi Ma'ayan, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha

Nucleic Acids Res., 2017

Open Targets: a platform for therapeutic target identification and validation.

Gautier Koscielny, Peter An, Denise Carvalho-Silva, Jennifer A. Cham, Luca Fumis, Rippa Gasparyan, Samiul Hasan, Nikiforos Karamanis, Michael Maguire, Eliseo Papa, Andrea Pierleoni, Miguel Pignatelli, Theo Platt, Francis Rowland, Priyanka Wankar, A. Patrícia Bento, Tony Burdett, Antonio Fabregat, Simon A. Forbes, Anna Gaulton, Cristina Yenyxe González, Henning Hermjakob, Anne Hersey, Steven Jupe, Senay Kafkas, Maria Keays, Catherine Leroy, Francisco-Javier Lopez, María P. Magariños, James Malone, Johanna R. McEntyre, Alfonso Muñoz-Pomer Fuentes, Claire O'Donovan, Irene Papatheodorou, Helen E. Parkinson, Barbara Palka, Justin E. Paschall, Robert Petryszak, Naruemon Pratanwanich, Sirarat Sarntivijai, Gary Saunders, Konstantinos Sidiropoulos, Thomas Smith, Zbyslaw Sondka, Oliver Stegle, Y. Amy Tang, Edward Turner, Brendan W. Vaughan, Olga Vrousgou, Xavier Watkins, Maria Jesus Martin, Philippe Sanseau, Jessica Vamathevan, Ewan Birney, Jeffrey Barrett, Ian Dunham

Nucleic Acids Res., 2017

The ChEMBL database in 2017.

Anna Gaulton, Anne Hersey, Michal Nowotka, A. Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo-Meullenet, Francis Atkinson, Louisa J. Bellis, Elena Cibrián-Uhalte, Mark Davies, Nathan Dedman, Anneli Karlsson, María P. Magariños, John P. Overington, George Papadatos, Ines Smit, Andrew R. Leach

Nucleic Acids Res., 2017

2016

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

George Papadatos, Mark Davies, Nathan Dedman, Jon Chambers, Anna Gaulton, James Siddle, Richard Koks, Sean A. Irvine, Joe Pettersson, Nicholas T. Goncharoff, Anne Hersey, John P. Overington

Nucleic Acids Res., 2016

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

Prudence Mutowo-Meullenet, A. Patrícia Bento, Nathan Dedman, Anna Gaulton, Anne Hersey, Jane Lomax, John P. Overington

J. Biomed. Semant., 2016

2015

The complex portal - an encyclopaedia of macromolecular complexes.

Birgit H. M. Meldal, Oscar Forner-Martinez, Maria C. Costanzo, Jose M. Dana, Janos Demeter, Marine Dumousseau, Selina S. Dwight, Anna Gaulton, Luana Licata, Anna N. Melidoni, Sylvie Ricard-Blum, Bernd Roechert, Marek S. Skrzypek, Manu Tiwari, Sameer Velankar, Edith D. Wong, Henning Hermjakob, Sandra E. Orchard

Nucleic Acids Res., 2015

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

Mark Davies, Michal Nowotka, George Papadatos, Nathan Dedman, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, John P. Overington

Nucleic Acids Res., 2015

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

Stefan Senger, Luca Bartek, George Papadatos, Anna Gaulton

J. Cheminformatics, 2015

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

George Papadatos, Anna Gaulton, Anne Hersey, John P. Overington

J. Comput. Aided Mol. Des., 2015

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

Felix A. Krüger, Anna Gaulton, Michal Nowotka, John P. Overington

Bioinform., 2015

Semantic-Web Access to Patent Annotations.

Anna Gaulton, Lee Harland, Mark Davies, George Papadatos, Antonis Loizou, Nathan Dedman, Daniela Digles, Stian Soiland-Reyes, Valery Tkachenko, Stefan Senger, John P. Overington, Nick Lynch

Proceedings of the 8th Semantic Web Applications and Tools for Life Sciences International Conference, 2015

2014

Chemical, Target, and Bioactive Properties of Allosteric Modulation.

Gerard J. P. van Westen, Anna Gaulton, John P. Overington

PLoS Comput. Biol., 2014

The ChEMBL bioactivity database: an update.

A. Patrícia Bento, Anna Gaulton, Anne Hersey, Louisa J. Bellis, Jon Chambers, Mark Davies, Felix A. Krüger, Yvonne Light, Lora Mak, Shaun McGlinchey, Michal Nowotka, George Papadatos, Rita Santos, John P. Overington

Nucleic Acids Res., 2014

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

Jon Chambers, Mark Davies, Anna Gaulton, George Papadatos, Anne Hersey, John P. Overington

J. Cheminformatics, 2014

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

Simon Jupp, James Malone, Jerven T. Bolleman, Marco Brandizi, Mark Davies, Leyla J. García, Anna Gaulton, Sebastien Gehant, Camille Laibe, Nicole Redaschi, Sarala M. Wimalaratne, Maria Jesus Martin, Nicolas Le Novère, Helen E. Parkinson, Ewan Birney, Andrew M. Jenkinson

Bioinform., 2014

Scientific Lenses to Support Multiple Views over Linked Chemistry Data.

Colin R. Batchelor, Christian Y. A. Brenninkmeijer, Christine Chichester, Mark Davies, Daniela Digles, Ian Dunlop, Chris T. A. Evelo, Anna Gaulton, Carole A. Goble, Alasdair J. G. Gray, Paul Groth, Lee Harland, Karen Karapetyan, Antonis Loizou, John P. Overington, Steve Pettifer, Jon Steele, Robert Stevens, Valery Tkachenko, Andra Waagmeester, Antony J. Williams, Egon L. Willighagen

Proceedings of the Semantic Web - ISWC 2014, 2014

2013

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

Jon Chambers, Mark Davies, Anna Gaulton, Anne Hersey, Sameer Velankar, Robert Petryszak, Janna Hastings, Louisa J. Bellis, Shaun McGlinchey, John P. Overington

J. Cheminformatics, 2013

2012

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

Anna Gaulton, Louisa J. Bellis, A. Patrícia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani, John P. Overington

Nucleic Acids Res., 2012

2003

Motif3D: relating protein sequence motifs to 3D structure.

Anna Gaulton, Terri K. Attwood

Nucleic Acids Res., 2003

PRINTS and its automatic supplement, prePRINTS.

Terri K. Attwood, Paul Bradley, Darren R. Flower, Anna Gaulton, Neil Maudling, Alex L. Mitchell, G. Moulton, A. Nordle, K. Paine, P. Taylor, A. Uddin, Christianna Zygouri

Nucleic Acids Res., 2003

2002

PRINTS and PRINTS-S shed light on protein ancestry.

Terri K. Attwood, Martin J. Blythe, Darren R. Flower, Anna Gaulton, J. E. Mabey, Neil Maudling, L. McGregor, Alex L. Mitchell, G. Moulton, K. Paine, Philip Scordis

Nucleic Acids Res., 2002