Found: 22
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Comparative Binding Study of Gliptins to Bacterial DPP4-like Enzymes for the Treatment of Type 2 Diabetes Mellitus (T2DM).
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 11, p. 5744, doi. 10.3390/ijms25115744
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- Article
Rethinking the applicability domain analysis in QSAR models.
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- Journal of Computer-Aided Molecular Design, 2024, v. 38, n. 1, p. 1, doi. 10.1007/s10822-024-00550-8
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- Article
Identification of NLRP3 PYD Homo-Oligomerization Inhibitors with Anti-Inflammatory Activity.
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- International Journal of Molecular Sciences, 2022, v. 23, n. 3, p. 1651, doi. 10.3390/ijms23031651
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- Article
Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review.
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- Molecular Diversity, 2021, v. 25, n. 3, p. 1425, doi. 10.1007/s11030-021-10277-5
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- Article
PeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints.
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- Proteins, 2021, v. 89, n. 2, p. 174, doi. 10.1002/prot.26003
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- Article
When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?
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- Molecular Diversity, 2020, v. 24, n. 4, p. 913, doi. 10.1007/s11030-019-10002-3
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- Article
Generative Adversarial Networks (GANs) Based Synthetic Sampling for Predictive Modeling.
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- Molecular Informatics, 2020, v. 39, n. 10, p. 1, doi. 10.1002/minf.202000086
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- Article
OncoOmics approaches to reveal essential genes in breast cancer: a panoramic view from pathogenesis to precision medicine.
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- Scientific Reports, 2020, v. 10, n. 1, p. 1, doi. 10.1038/s41598-020-62279-2
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- Article
Undersampling: case studies of flaviviral inhibitory activities.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 11, p. 997, doi. 10.1007/s10822-019-00255-3
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- Article
Molecular Modelling of Potential Candidates for the Treatment of Depression.
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- Molecular Informatics, 2019, v. 38, n. 7, p. N.PAG, doi. 10.1002/minf.201900024
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- Article
Gene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis.
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- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-35149-1
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- Article
Multi‐objective Optimization of Benzamide Derivatives as Rho Kinase Inhibitors.
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- Molecular Informatics, 2018, v. 37, n. 3, p. 1, doi. 10.1002/minf.201700080
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- Publication type:
- Article
Physico-Chemical and Structural Interpretation of Discrete Derivative Indices on N-Tuples Atoms.
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- International Journal of Molecular Sciences, 2016, v. 17, n. 6, p. 812, doi. 10.3390/ijms17060812
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- Article
Development of an in Silico Model of DPPH Free Radical Scavenging Capacity: Prediction of Antioxidant Activity of Coumarin Type Compounds.
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- International Journal of Molecular Sciences, 2016, v. 17, n. 6, p. 881, doi. 10.3390/ijms17060881
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- Article
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets.
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- Journal of Cheminformatics, 2016, v. 8, n. 1, p. 1, doi. 10.1186/s13321-016-0122-x
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- Article
Is molecular alignment an indispensable requirement in the MIA-QSAR method?
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- Journal of Computational Chemistry, 2015, v. 36, n. 23, p. 1748, doi. 10.1002/jcc.23992
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- Article
Overlap and diversity in antimicrobial peptide databases: compiling a non-redundant set of sequences.
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- 2015
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- Product Review
Towards Better BBB Passage Prediction Using an Extensive and Curated Data Set.
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- Molecular Informatics, 2015, v. 34, n. 5, p. 308, doi. 10.1002/minf.201400118
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- Publication type:
- Article
Multi-Server Approach for High-Throughput Molecular Descriptors Calculation based on Multi-Linear Algebraic Maps.
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- 2015
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- Publication type:
- Other
QuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps.
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- Journal of Computational Chemistry, 2014, v. 35, n. 18, p. 1395, doi. 10.1002/jcc.23640
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- Article
Discrete Derivatives for Atom-Pairs as a Novel Graph-Theoretical Invariant for Generating New Molecular Descriptors: Orthogonality, Interpretation and QSARs/QSPRs on Benchmark Databases.
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- Molecular Informatics, 2014, v. 33, n. 5, p. 343, doi. 10.1002/minf.201300173
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- Article
Relations frequency hypermatrices in mutual, conditional and joint entropy-based information indices.
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- Journal of Computational Chemistry, 2013, v. 34, n. 4, p. 259, doi. 10.1002/jcc.23123
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- Publication type:
- Article