Found: 43
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Probing the links between in vitro potency, ADMET and physicochemical parameters.
- Published in:
- 2011
- By:
- Publication type:
- journal article
Genomic-scale prioritization of drug targets: the TDR Targets database.
- Published in:
- 2008
- By:
- Publication type:
- research
How many drug targets are there?
- Published in:
- Nature Reviews Drug Discovery, 2006, v. 5, n. 12, p. 993, doi. 10.1038/nrd2199
- By:
- Publication type:
- Article
Pharos: Collating protein information to shed light on the druggable genome.
- Published in:
- Nucleic Acids Research, 2017, v. 45, n. D1, p. D995, doi. 10.1093/nar/gkw1072
- By:
- 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
- By:
- Publication type:
- Article
SureChEMBL: a large-scale, chemically annotated patent document database.
- Published in:
- Nucleic Acids Research, 2016, v. 44, p. D1220, doi. 10.1093/nar/gkv1253
- By:
- Publication type:
- Article
ChEMBL web services: streamlining access to drug discovery data and utilities.
- Published in:
- Nucleic Acids Research, 2015, v. 43, n. W1, p. W612, doi. 10.1093/nar/gkv352
- By:
- Publication type:
- Article
The ChEMBL bioactivity database: an update.
- Published in:
- Nucleic Acids Research, 2014, v. 42, n. D1, p. D1083, doi. 10.1093/nar/gkt1031
- By:
- Publication type:
- Article
The EBI enzyme portal.
- Published in:
- Nucleic Acids Research, 2013, v. 41, p. D773, doi. 10.1093/nar/gks1112
- By:
- Publication type:
- Article
ChEMBL: a large-scale bioactivity database for drug discovery.
- Published in:
- Nucleic Acids Research, 2012, p. D1100, doi. 10.1093/nar/gkr777
- By:
- Publication type:
- Article
Artificial intelligence, drug repurposing and peer review.
- Published in:
- Nature Biotechnology, 2020, v. 38, n. 10, p. 1127, doi. 10.1038/s41587-020-0686-x
- By:
- Publication type:
- Article
A ligand's-eye view of protein similarity.
- Published in:
- Nature Methods, 2013, v. 10, n. 2, p. 116, doi. 10.1038/nmeth.2339
- By:
- Publication type:
- Article
Rational design of non-resistant targeted cancer therapies.
- Published in:
- Scientific Reports, 2017, p. 46632, doi. 10.1038/srep46632
- By:
- Publication type:
- Article
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL.
- Published in:
- Journal of Biomedical Semantics, 2016, v. 7, p. 1, doi. 10.1186/s13326-016-0102-0
- By:
- Publication type:
- Article
Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation.
- Published in:
- PLoS ONE, 2015, v. 10, n. 3, p. 1, doi. 10.1371/journal.pone.0121492
- By:
- Publication type:
- Article
Annotating Human P-Glycoprotein Bioassay Data.
- Published in:
- Molecular Informatics, 2012, v. 31, n. 8, p. 599, doi. 10.1002/minf.201200059
- By:
- Publication type:
- Article
ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services.
- Published in:
- Challenges (20781547), 2014, v. 5, n. 2, p. 444, doi. 10.3390/challe5020444
- By:
- Publication type:
- Article
MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data.
- Published in:
- Challenges (20781547), 2014, v. 5, n. 2, p. 334, doi. 10.3390/challe5020334
- By:
- Publication type:
- Article
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0043-5
- By:
- Publication type:
- Article
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0043-5
- By:
- Publication type:
- Article
A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.
- Published in:
- Journal of Cheminformatics, 2014, v. 6, n. 1, p. 1, doi. 10.1186/s13321-014-0040-8
- By:
- Publication type:
- Article
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
- Published in:
- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-42
- By:
- Publication type:
- Article
UniChem: a unified chemical structure cross-referencing and identifier tracking system.
- Published in:
- Journal of Cheminformatics, 2013, v. 5, n. 1, p. 1, doi. 10.1186/1758-2946-5-3
- By:
- Publication type:
- Article
Mapping small molecule binding data to structural domains.
- Published in:
- BMC Bioinformatics, 2012, v. 13, n. Suppl 17, p. 1, doi. 10.1186/1471-2105-13-S17-S11
- By:
- Publication type:
- Article
Designing and implementing chemoinformatic approaches in TDR Targets Database: linking genes to chemical compounds in tropical disease causing pathogens.
- Published in:
- 2010
- By:
- Publication type:
- Abstract
Improving the odds of drug development success through human genomics: modelling study.
- Published in:
- Scientific Reports, 2019, v. 9, n. 1, p. 1, doi. 10.1038/s41598-019-54849-w
- By:
- Publication type:
- Article
Chemical, Target, and Bioactive Properties of Allosteric Modulation.
- Published in:
- PLoS Computational Biology, 2014, v. 10, n. 4, p. 1, doi. 10.1371/journal.pcbi.1003559
- By:
- Publication type:
- Article
Target Prediction for an Open Access Set of Compounds Active against <i>Mycobacterium tuberculosis</i>.
- Published in:
- PLoS Computational Biology, 2013, v. 9, n. 10, p. 1, doi. 10.1371/journal.pcbi.1003253
- By:
- Publication type:
- Article
Global Analysis of Small Molecule Binding to Related Protein Targets.
- Published in:
- PLoS Computational Biology, 2012, v. 8, n. 1, p. 1, doi. 10.1371/journal.pcbi.1002333
- By:
- Publication type:
- Article
The druggable genome and support for target identification and validation in drug development.
- Published in:
- Science Translational Medicine, 2017, v. 9, n. 383, p. 1, doi. 10.1126/scitranslmed.aag1166
- By:
- Publication type:
- Article
Computational and Practical Aspects of Drug Repositioning.
- Published in:
- Assay & Drug Development Technologies, 2015, v. 13, n. 6, p. 299, doi. 10.1089/adt.2015.29011.tiodrrr
- By:
- Publication type:
- Article
Activity, assay and target data curation and quality in the ChEMBL database.
- Published in:
- Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 9, p. 885, doi. 10.1007/s10822-015-9860-5
- By:
- Publication type:
- Article
Classification and analysis of a large collection of in vivo bioassay descriptions.
- Published in:
- PLoS Computational Biology, 2017, v. 13, n. 7, p. 1, doi. 10.1371/journal.pcbi.1005641
- By:
- Publication type:
- Article
Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
- Published in:
- Frontiers in Pharmacology, 2017, p. 1, doi. 10.3389/fphar.2017.00681
- By:
- Publication type:
- Article
Data Mining in Drug Discovery. Edited by Remy D. Hoffmann, Arnaud Gohier and Pavel Pospisil.
- Published in:
- ChemMedChem, 2014, v. 9, n. 8, p. 1907, doi. 10.1002/cmdc.201402194
- By:
- Publication type:
- Article
HOMSTRAD: A database of protein structure alignments for homologous families.
- Published in:
- 1998
- By:
- Publication type:
- Other
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
- Published in:
- Bioinformatics, 2016, v. 32, n. 1, p. 85, doi. 10.1093/bioinformatics/btv529
- By:
- Publication type:
- Article
ADME SARfari: comparative genomics of drug metabolizing systems.
- Published in:
- 2015
- By:
- Publication type:
- Product Review
diXa: a data infrastructure for chemical safety assessment.
- Published in:
- 2015
- By:
- Publication type:
- Product Review
PPDMs—a resource for mapping small molecule bioactivities from ChEMBL to Pfam-A protein domains.
- Published in:
- Bioinformatics, 2015, v. 31, n. 5, p. 776, doi. 10.1093/bioinformatics/btu711
- By:
- Publication type:
- Article
The functional therapeutic chemical classification system.
- Published in:
- Bioinformatics, 2014, v. 30, n. 6, p. 876, doi. 10.1093/bioinformatics/btt628
- By:
- Publication type:
- Article
myChEMBL: a virtual machine implementation of open data and cheminformatics tools.
- Published in:
- Bioinformatics, 2014, v. 30, n. 2, p. 298, doi. 10.1093/bioinformatics/btt666
- By:
- Publication type:
- Article
Brain: biomedical knowledge manipulation.
- Published in:
- Bioinformatics, 2013, v. 29, n. 9, p. 1238, doi. 10.1093/bioinformatics/btt109
- By:
- Publication type:
- Article