A. P. Bento

发表

Genome-wide association analysis and Mendelian randomization proteomics identify novel protein biomarkers and drug targets for primary prevention of heart failure

P. Munroe, J. Whittaker, G. Peloso, 2022, medRxiv.

A comprehensive map of molecular drug targets

Tudor I. Oprea, John P. Overington, B. Al-Lazikani, 2016, Nature Reviews Drug Discovery.

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.

John P. Overington, Bissan Al-Lazikani, John Overington, 2010, Drug discovery today.

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

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Biochemical Society transactions.

Nucleophilic Substitution Reactions : Theoretical Study on the Origin of Reaction Barriers

A. P. Bento, 2008 .

Frontside versus Backside S(N)2 substitution at group 14 atoms: origin of reaction barriers and reasons for their absence.

A. P. Bento, F. Bickelhaupt, 2008, Chemistry, an Asian journal.

Actionable druggable genome-wide Mendelian randomization identifies repurposing opportunities for COVID-19

Grant D. Huang, Yan V. Sun, J. Danesh, 2020, Nature Medicine.

E2 and S(N)2 Reactions of X- + CH3CH2X (X = F, Cl); an ab Initio and OFT Benchmark Study (vol 4, pg 929, 2008)

A. P. Bento, M. Solà, F. Bickelhaupt, 2008 .

A large-scale dataset of in vivo pharmacology assay results

Anne Hersey, Anna Gaulton, Nicolas Bosc, 2018, Scientific Data.

Nucleophilic substitution at silicon (SN2@Si) via a central reaction barrier.

A. P. Bento, F. Bickelhaupt, 2007, The Journal of organic chemistry.

An open source chemical structure curation pipeline using RDKit

A. Leach, A. Hersey, A. Gaulton, 2020, Journal of Cheminformatics.

ChEMBL: towards direct deposition of bioassay data

Andrew R. Leach, Prudence Mutowo-Meullenet, Anne Hersey, 2018, Nucleic Acids Res..

The ChEMBL database in 2017

George Papadatos, Andrew R. Leach, Prudence Mutowo-Meullenet, 2016, Nucleic Acids Res..

ChEMBL: a large-scale bioactivity database for drug discovery

John P. Overington, Anne Hersey, Anna Gaulton, 2011, Nucleic Acids Res..

Nucleophilicity and leaving-group ability in frontside and backside S(N)2 reactions.

A. P. Bento, F. Bickelhaupt, F. Bickelhaupt, 2008, The Journal of organic chemistry.

E2 and SN2 Reactions of X(-) + CH3CH2X (X = F, Cl); an ab Initio and DFT Benchmark Study.

Miquel Solà, F Matthias Bickelhaupt, A Patrícia Bento, 2008, Journal of chemical theory and computation.

Open Targets: a platform for therapeutic target identification and validation

Gautier Koscielny, Robert Petryszak, Maria Keays, 2016, Nucleic Acids Res..

Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)

A. Patrícia Bento, F. Matthias Bickelhaupt, Miquel Solà, 2005, J. Comput. Chem..

Linking rare and common disease: mapping clinical disease-phenotypes to ontologies in therapeutic target validation

H. Parkinson, I. Dunham, Gary Saunders, 2016, J. Biomed. Semant..

The ChEMBL bioactivity database: an update

George Papadatos, John P. Overington, Mark Davies, 2013, Nucleic Acids Res..

Target-based evaluation of ‘drug-like’ properties and ligand efficiencies

A. Leach, A. Hersey, P. Leeson, 2021, Journal of medicinal chemistry.

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

Anne Hersey, Anna Gaulton, David Mendez, 2017, Expert opinion on drug discovery.

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs.

Fiona M. I. Hunter, A. Leach, A. Hersey, 2021, Chemical research in toxicology.

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

John P. Overington, A. Hersey, J. Lomax, 2016, Journal of Biomedical Semantics.

A large-scale crop protection bioassay data set

George Papadatos, John P. Overington, Mark Davies, 2015, Scientific Data.

Genome-wide association analysis and Mendelian randomization proteomics identify drug targets for heart failure

María P. Magariños, Steffen E. Petersen, P. Munroe, 2023, Nature communications.

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

Prudence Mutowo-Meullenet, John P. Overington, Anne Hersey, 2016, Journal of Biomedical Semantics.

Ligand efficiency indices for an effective mapping of chemico-biological space: the concept of an atlas-like representation.

John P. Overington, B. Al-Lazikani, C. Abad-Zapatero, 2010, Drug discovery today.

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.

María P. Magariños, A. Gaulton, A. P. Bento, 2023, Nucleic acids research.