| 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 | 4480 | 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 | 2428 | 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 | 2371 | 2017 |
| ChEMBL: towards direct deposition of bioassay data D Mendez, A Gaulton, AP Bento, J Chambers, M De Veij, E Félix, ... Nucleic acids research 47 (D1), D930-D940, 2019 | 1944 | 2019 |
| 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 | 1686 | 2014 |
| 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 | 505 | 2017 |
| An open source chemical structure curation pipeline using RDKit AP Bento, A Hersey, E Félix, G Landrum, A Gaulton, F Atkinson, LJ Bellis, ... Journal of Cheminformatics 12, 1-16, 2020 | 397 | 2020 |
| 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 | 361 | 2024 |
| 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 | 233 | 2008 |
| 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 | 197 | 2021 |
| 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 | 186 | 2007 |
| Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si) AP Bento, M Solà, FM Bickelhaupt Journal of Computational Chemistry 26 (14), 1497-1504, 2005 | 166 | 2005 |
| 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 | 127 | 2010 |
| E2 and SN2 Reactions of X− + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study AP Bento, M Solà, FM Bickelhaupt Journal of Chemical Theory and computation 4 (6), 929-940, 2008 | 113 | 2008 |
| 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 | 84 | 2021 |
| 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 | 62 | 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 | 57 | 2015 |
| Genome-wide association analysis and Mendelian randomization proteomics identify drug targets for heart failure D Rasooly, GM Peloso, AC Pereira, H Dashti, C Giambartolomei, ... Nature Communications 14 (1), 3826, 2023 | 54 | 2023 |
| 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 | 51 | 2017 |
| 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 | 47 | 2016 |
Anna GaultonExscientiaE-mail megerősítve itt: exscientia.co.uk
