PatrÝcia Bento
PatrÝcia Bento
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Cited by
ChEMBL: a large-scale bioactivity database for drug discovery
A Gaulton, LJ Bellis, AP Bento, J Chambers, M Davies, A Hersey, Y Light, ...
Nucleic acids research 40 (D1), D1100-D1107, 2012
The ChEMBL database in 2017
A Gaulton, A Hersey, M Nowotka, AP Bento, J Chambers, D Mendez, ...
Nucleic acids research 45 (D1), D945-D954, 2017
A comprehensive map of molecular drug targets
R Santos, O Ursu, A Gaulton, AP Bento, RS Donadi, CG Bologa, ...
Nature reviews Drug discovery 16 (1), 19-34, 2017
The ChEMBL bioactivity database: an update
AP Bento, A Gaulton, A Hersey, LJ Bellis, J Chambers, M Davies, ...
Nucleic acids research 42 (D1), D1083-D1090, 2014
ChEMBL: towards direct deposition of bioassay data
D Mendez, A Gaulton, AP Bento, J Chambers, M De Veij, E FÚlix, ...
Nucleic acids research 47 (D1), D930-D940, 2019
Open Targets: a platform for therapeutic target identification and validation
G Koscielny, P An, D Carvalho-Silva, JA Cham, L Fumis, R Gasparyan, ...
Nucleic acids research 45 (D1), D985-D994, 2017
An open source chemical structure curation pipeline using RDKit
AP Bento, A Hersey, E FÚlix, G Landrum, A Gaulton, F Atkinson, LJ Bellis, ...
Journal of Cheminformatics 12, 1-16, 2020
Nucleophilicity and Leaving-Group Ability in Frontside and Backside SN2 Reactions
AP Bento, FM Bickelhaupt
The Journal of Organic Chemistry 73 (18), 7290-7299, 2008
Nucleophilic Substitution at Silicon (SN2@Si) via a Central Reaction Barrier
AP Bento, FM Bickelhaupt
The Journal of Organic Chemistry 72 (6), 2201-2207, 2007
Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)
AP Bento, M SolÓ, FM Bickelhaupt
Journal of Computational Chemistry 26 (14), 1497-1504, 2005
Actionable druggable genome-wide Mendelian randomization identifies repurposing opportunities for COVID-19
L Gaziano, C Giambartolomei, AC Pereira, A Gaulton, DC Posner, ...
Nature medicine 27 (4), 668-676, 2021
Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation
C Abad-Zapatero, O Perišić, J Wass, AP Bento, J Overington, ...
Drug discovery today 15 (19-20), 804-811, 2010
E2 and SN2 Reactions of X + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study
AP Bento, M SolÓ, FM Bickelhaupt
Journal of Chemical Theory and computation 4 (6), 929-940, 2008
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods
B Zdrazil, E Felix, F Hunter, EJ Manners, J Blackshaw, S Corbett, ...
Nucleic acids research 52 (D1), D1180-D1192, 2024
Frontside versus Backside SN2 Substitution at Group 14 Atoms: Origin of Reaction Barriers and Reasons for Their Absence
AP Bento, FM Bickelhaupt
Chemistry–An Asian Journal 3 (10), 1783-1792, 2008
Chemical databases: curation or integration by user-defined equivalence?
A Hersey, J Chambers, L Bellis, AP Bento, A Gaulton, JP Overington
Drug Discovery Today: Technologies 14, 17-24, 2015
Target-based evaluation of “drug-like” properties and ligand efficiencies
PD Leeson, AP Bento, A Gaulton, A Hersey, EJ Manners, CJ Radoux, ...
Journal of medicinal chemistry 64 (11), 7210-7230, 2021
Linking rare and common disease: mapping clinical disease-phenotypes to ontologies in therapeutic target validation
S Sarntivijai, D Vasant, S Jupp, G Saunders, AP Bento, D Gonzalez, ...
Journal of biomedical semantics 7, 1-11, 2016
Collation and data-mining of literature bioactivity data for drug discovery
LJ Bellis, R Akhtar, B Al-Lazikani, F Atkinson, AP Bento, J Chambers, ...
Biochemical Society Transactions 39 (5), 1365-1370, 2011
Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery
MM Nowotka, A Gaulton, D Mendez, AP Bento, A Hersey, A Leach
Expert opinion on drug discovery 12 (8), 757-767, 2017
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