Found: 28
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Comprehensive characterization of the Published Kinase Inhibitor Set.
- Published in:
- Nature Biotechnology, 2016, v. 34, n. 1, p. 95, doi. 10.1038/nbt.3374
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- Publication type:
- Article
Cheminformatics Analysis of Fluoroquinolones and their Inhibition Potency Against Four Pathogens.
- Published in:
- Molecular Informatics, 2021, v. 40, n. 5, p. 1, doi. 10.1002/minf.202000215
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- Publication type:
- Article
In silico Predicted Glucose‐1‐phosphate Uridylyltransferase (GalU) Inhibitors Block a Key Pathway Required for Listeria Virulence.
- Published in:
- Molecular Informatics, 2018, v. 37, n. 6/7, p. 1, doi. 10.1002/minf.201800004
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- Publication type:
- Article
Cheminformatics Analysis of Dynamic WNK‐Inhibitor Interactions.
- Published in:
- Molecular Informatics, 2018, v. 37, n. 6/7, p. 1, doi. 10.1002/minf.201700138
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- Publication type:
- Article
Cheminformatics Modeling of Amine Solutions for Assessing their CO<sub>2</sub> Absorption Properties.
- Published in:
- Molecular Informatics, 2017, v. 36, n. 7, p. n/a, doi. 10.1002/minf.201600143
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- Publication type:
- Article
Pred-hERG: A Novel web-Accessible Computational Tool for Predicting Cardiac Toxicity.
- Published in:
- 2015
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- Publication type:
- Other
Drug Side Effect Profiles as Molecular Descriptors for Predictive Modeling of Target Bioactivity.
- Published in:
- Molecular Informatics, 2015, v. 34, n. 2/3, p. 160, doi. 10.1002/minf.201400134
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- Publication type:
- Article
Using Graph Indices for the Analysis and Comparison of Chemical Datasets.
- Published in:
- Molecular Informatics, 2013, v. 32, n. 9/10, p. 827, doi. 10.1002/minf.201300076
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- Publication type:
- Article
CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity.
- Published in:
- Environmental Health Perspectives, 2020, v. 128, n. 2, p. 027002-1, doi. 10.1289/EHP5580
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- Publication type:
- Article
CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
- Published in:
- Environmental Health Perspectives, 2016, v. 124, n. 7, p. 1023, doi. 10.1289/ehp.1510267
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- Publication type:
- Article
Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome.
- Published in:
- 2016
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- Publication type:
- journal article
SIME: synthetic insight-based macrolide enumerator to generate the V1B library of 1 billion macrolides.
- Published in:
- Journal of Cheminformatics, 2020, v. 12, n. 1, p. 1, doi. 10.1186/s13321-020-00427-6
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- Publication type:
- Article
Cheminformatics approach to exploring and modeling trait-associated metabolite profiles.
- Published in:
- Journal of Cheminformatics, 2019, v. 11, n. 1, p. N.PAG, doi. 10.1186/s13321-019-0366-3
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- Publication type:
- Article
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 1, doi. 10.1186/s13321-018-0307-6
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- Publication type:
- Article
Adverse drug reactions triggered by the common HLA-B*57:01 variant: virtual screening of DrugBank using 3D molecular docking.
- Published in:
- Journal of Cheminformatics, 2018, v. 10, n. 1, p. 0, doi. 10.1186/s13321-018-0257-z
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- Publication type:
- Article
Adverse drug reactions triggered by the common HLA-B*57:01 variant: a molecular docking study.
- Published in:
- Journal of Cheminformatics, 2017, v. 9, n. 1, p. 1, doi. 10.1186/s13321-017-0202-6
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- Publication type:
- Article
Modeling of interactions between xenobiotics and cytochrome P450 (CYP) enzymes.
- Published in:
- Frontiers in Pharmacology, 2015, p. 1, doi. 10.3389/fphar.2015.00123
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- Publication type:
- Article
Clozapine-induced agranulocytosis is associated with rare HLA-DQB1 and HLA-B alleles.
- Published in:
- Nature Communications, 2014, v. 5, n. 9, p. 4757, doi. 10.1038/ncomms5757
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- Publication type:
- Article
Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors.
- Published in:
- Journal of Chemometrics, 2016, v. 30, n. 3, p. 99, doi. 10.1002/cem.2776
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- Publication type:
- Article
Curation of chemogenomics data.
- Published in:
- Nature Chemical Biology, 2015, v. 11, n. 8, p. 535, doi. 10.1038/nchembio.1881
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- Publication type:
- Article
A New Structure-Activity Relationship (SAR) Model for Predicting Drug-Induced Liver Injury, Based on Statistical and Expert-Based Structural Alerts.
- Published in:
- Frontiers in Pharmacology, 2016, v. 7, p. 1, doi. 10.3389/fphar.2016.00442
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- Publication type:
- Article
In vitro and in vivo Evaluation of in silico Predicted Pneumococcal UDPG:PP Inhibitors.
- Published in:
- Frontiers in Microbiology, 2020, v. 11, p. 1, doi. 10.3389/fmicb.2020.01596
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- Publication type:
- Article
Identifying individual risk rare variants using protein structure guided local tests (POINT).
- Published in:
- PLoS Computational Biology, 2019, v. 15, n. 2, p. 1, doi. 10.1371/journal.pcbi.1006722
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- Publication type:
- Article
Exploring drug space with ChemMaps.com.
- Published in:
- Bioinformatics, 2018, v. 34, n. 21, p. 3773, doi. 10.1093/bioinformatics/bty412
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- Publication type:
- Article
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual reality.
- Published in:
- Bioinformatics, 2017, v. 33, n. 23, p. 3816, doi. 10.1093/bioinformatics/btx485
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- Publication type:
- Article
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data.
- Published in:
- Bioinformatics, 2014, v. 30, n. 4, p. 588, doi. 10.1093/bioinformatics/btt718
- By:
- Publication type:
- Article
Predicting Adverse Drug Effects from Literature- and Database-Mined Assertions.
- Published in:
- 2018
- By:
- Publication type:
- journal article
Human Intestinal Transporter Database: QSAR Modeling and Virtual Profiling of Drug Uptake, Efflux and Interactions.
- Published in:
- Pharmaceutical Research, 2013, v. 30, n. 4, p. 996, doi. 10.1007/s11095-012-0935-x
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- Publication type:
- Article