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Anna Gaulton
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2020 – today
- 2023
- [j24]Eva Nittinger, Alex Clark, Anna Gaulton
, Barbara Zdrazil
:
Biomedical data analyses facilitated by open cheminformatics workflows. J. Cheminformatics 15(1): 46 (2023) - 2020
- [j23]A. Patrícia Bento
, Anne Hersey, Eloy Felix
, Gregory A. Landrum, Anna Gaulton, Francis Atkinson, Louisa J. Bellis, Marleen De Veij, Andrew R. Leach
:
An open source chemical structure curation pipeline using RDKit. J. Cheminformatics 12(1): 51 (2020)
2010 – 2019
- 2019
- [j22]Nicolas Bosc
, Francis Atkinson
, Eloy Felix
, Anna Gaulton
, Anne Hersey
, Andrew R. Leach
:
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery. J. Cheminformatics 11(1): 4:1-4:16 (2019) - [j21]Nicolas Bosc
, Francis Atkinson, Eloy Felix
, Anna Gaulton, Anne Hersey
, Andrew R. Leach
:
Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery". J. Cheminformatics 11(1): 64:1-64:3 (2019) - [j20]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
:
ChEMBL: towards direct deposition of bioassay data. Nucleic Acids Res. 47(Database-Issue): D930-D940 (2019) - 2017
- [j19]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
:
The ChEMBL database in 2017. Nucleic Acids Res. 45(Database-Issue): D945-D954 (2017) - [j18]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:
Open Targets: a platform for therapeutic target identification and validation. Nucleic Acids Res. 45(Database-Issue): D985-D994 (2017) - [j17]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:
Pharos: Collating protein information to shed light on the druggable genome. Nucleic Acids Res. 45(Database-Issue): D995-D1002 (2017) - 2016
- [j16]Prudence Mutowo-Meullenet
, A. Patrícia Bento, Nathan Dedman
, Anna Gaulton, Anne Hersey, Jane Lomax
, John P. Overington:
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL. J. Biomed. Semant. 7: 59 (2016) - [j15]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:
SureChEMBL: a large-scale, chemically annotated patent document database. Nucleic Acids Res. 44(Database-Issue): 1220-1228 (2016) - 2015
- [j14]Felix A. Krüger, Anna Gaulton
, Michal Nowotka, John P. Overington
:
PPDMs - a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains. Bioinform. 31(5): 776-778 (2015) - [j13]George Papadatos
, Anna Gaulton
, Anne Hersey
, John P. Overington
:
Activity, assay and target data curation and quality in the ChEMBL database. J. Comput. Aided Mol. Des. 29(9): 885-896 (2015) - [j12]Stefan Senger
, Luca Bartek, George Papadatos, Anna Gaulton
:
Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents. J. Cheminformatics 7: 49:1-49:12 (2015) - [j11]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:
The complex portal - an encyclopaedia of macromolecular complexes. Nucleic Acids Res. 43(Database-Issue): 479-484 (2015) - [j10]Mark Davies, Michal Nowotka, George Papadatos
, Nathan Dedman
, Anna Gaulton
, Francis Atkinson
, Louisa J. Bellis
, John P. Overington:
ChEMBL web services: streamlining access to drug discovery data and utilities. Nucleic Acids Res. 43(Webserver-Issue): W612-W620 (2015) - [c2]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:
Semantic-Web Access to Patent Annotations. SWAT4LS 2015: 212-213 - 2014
- [j9]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
:
The EBI RDF platform: linked open data for the life sciences. Bioinform. 30(9): 1338-1339 (2014) - [j8]Jon Chambers, Mark Davies, Anna Gaulton
, George Papadatos
, Anne Hersey
, John P. Overington
:
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers. J. Cheminformatics 6(1): 43 (2014) - [j7]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
:
The ChEMBL bioactivity database: an update. Nucleic Acids Res. 42(Database-Issue): 1083-1090 (2014) - [j6]Gerard J. P. van Westen
, Anna Gaulton
, John P. Overington
:
Chemical, Target, and Bioactive Properties of Allosteric Modulation. PLoS Comput. Biol. 10(4) (2014) - [c1]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
:
Scientific Lenses to Support Multiple Views over Linked Chemistry Data. ISWC (1) 2014: 98-113 - 2013
- [j5]Jon Chambers, Mark Davies
, Anna Gaulton
, Anne Hersey
, Sameer Velankar
, Robert Petryszak
, Janna Hastings
, Louisa J. Bellis
, Shaun McGlinchey, John P. Overington
:
UniChem: a unified chemical structure cross-referencing and identifier tracking system. J. Cheminformatics 5: 3 (2013) - 2012
- [j4]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
:
ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res. 40(Database-Issue): 1100-1107 (2012)
2000 – 2009
- 2003
- [j3]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:
PRINTS and its automatic supplement, prePRINTS. Nucleic Acids Res. 31(1): 400-402 (2003) - [j2]Anna Gaulton
, Terri K. Attwood
:
Motif3D: relating protein sequence motifs to 3D structure. Nucleic Acids Res. 31(13): 3333-3336 (2003) - 2002
- [j1]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
:
PRINTS and PRINTS-S shed light on protein ancestry. Nucleic Acids Res. 30(1): 239-241 (2002)
Coauthor Index
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