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An analysis of the attrition of drug candidates from four major pharmaceutical companies.
- Published in:
- Nature Reviews Drug Discovery, 2015, v. 14, n. 7, p. 475, doi. 10.1038/nrd4609
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- Publication type:
- Article
EMBL's European Bioinformatics Institute (EMBL-EBI) in 2023.
- Published in:
- Nucleic Acids Research, 2024, v. 52, n. D1, p. D10, doi. 10.1093/nar/gkad1088
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- Publication type:
- Article
The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods.
- Published in:
- Nucleic Acids Research, 2024, v. 52, n. D1, p. D1180, doi. 10.1093/nar/gkad1004
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- Publication type:
- Article
Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery.
- Published in:
- Journal of Cheminformatics, 2019, v. 11, n. 1, p. 1, doi. 10.1186/s13321-018-0325-4
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- Publication type:
- Article
Cheminformatics and computational chemistry in lead optimisation.
- Published in:
- 2011
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- Publication type:
- Abstract
Conformational analysis of flexible ligands in macromolecular receptor sites.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 6, p. 730, doi. 10.1002/jcc.540130608
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- Publication type:
- Article
Automated conformational analysis: Directed conformational search using the A* algorithm.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 10, p. 1193, doi. 10.1002/jcc.540111012
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- Publication type:
- Article
The application of Artificial Intelligence to the conformational analysis of strained molecules.
- Published in:
- Journal of Computational Chemistry, 1990, v. 11, n. 6, p. 680, doi. 10.1002/jcc.540110603
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- Publication type:
- Article
Illuminating the druggable genome through patent bioactivity data.
- Published in:
- PeerJ, 2023, p. 1, doi. 10.7717/peerj.15153
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- Publication type:
- Article
A molecular dynamics study of the inhibition of chicken dihydrofolate reductase by a phenyl triazine.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 11, p. 1378, doi. 10.1002/jcc.540161107
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- Publication type:
- Article
A ring-bracing approach to computer-assisted ligand design.
- Published in:
- Journal of Computational Chemistry, 1994, v. 15, n. 2, p. 233, doi. 10.1002/jcc.540150213
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- Publication type:
- Article
Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity.
- Published in:
- Scientific Data, 2023, v. 10, n. 1, p. 1, doi. 10.1038/s41597-023-02513-4
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- Publication type:
- Article
The ChEMBL database in 2017.
- Published in:
- Nucleic Acids Research, 2017, v. 45, n. D1, p. D945, doi. 10.1093/nar/gkw1074
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- Publication type:
- Article
A data science roadmap for open science organizations engaged in early-stage drug discovery.
- Published in:
- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-49777-x
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- Publication type:
- Article
MAIP: a web service for predicting blood‐stage malaria inhibitors.
- Published in:
- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00487-2
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- Publication type:
- Article
MAIP: a web service for predicting blood‐stage malaria inhibitors.
- Published in:
- Journal of Cheminformatics, 2021, v. 13, n. 1, p. 1, doi. 10.1186/s13321-021-00487-2
- By:
- Publication type:
- Article
Reply to "Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery".
- Published in:
- 2019
- By:
- Publication type:
- Letter
Ligand solvation in molecular docking.
- Published in:
- Proteins, 1999, v. 34, n. 1, p. 4, doi. 10.1002/(SICI)1097-0134(19990101)34:1<4::AID-PROT2>3.0.CO;2-6
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- Publication type:
- Article
Exploring the Conformational Space of Protein Side Chains Using Dead-End Elimination and the A* Algorithm
- Published in:
- Proteins, 1998, v. 33, n. 2, p. 227
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- Publication type:
- Article
Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level.
- Published in:
- Frontiers in Immunology, 2021, v. 12, p. 1, doi. 10.3389/fimmu.2021.669357
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- Publication type:
- Article