HUMBERTO
GONZALEZ DIAZ
IKERBASKE BISITARIA
Universidade Do Porto
Oporto, PortugalUniversidade Do Porto-ko ikertzaileekin lankidetzan egindako argitalpenak (34)
2021
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Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)
ACS Chemical Neuroscience, Vol. 12, Núm. 1, pp. 203-215
2020
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Ptml multi-label algorithms: Models, software, and applications
Current Topics in Medicinal Chemistry, Vol. 20, Núm. 25, pp. 2326-2337
2019
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Complex networks and machine learning: From molecular to social sciences
Applied Sciences (Switzerland)
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Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1)
Chemical Research in Toxicology, Vol. 32, Núm. 4, pp. 566-577
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MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors
Journal of Chemical Information and Modeling, Vol. 59, Núm. 1, pp. 86-97
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PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms
Journal of Proteome Research, Vol. 18, Núm. 7, pp. 2735-2746
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QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models
Journal of Chemical Information and Modeling, Vol. 59, Núm. 6, pp. 2538-2544
2018
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New experimental and computational tools for drug discovery: Medicinal chemistry, molecular docking, and machine learning - Part-VI
Current Topics in Medicinal Chemistry
2017
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Machine Learning Approach to Predict Enzyme Subclasses
Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back (Elsevier Inc.), pp. 37-53
2014
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Chemoinformatics in metabolomics, from molecular mechanics, dynamics, and docking to complex metabolic networks, part 2
Current Drug Metabolism
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Chemoinformatics in metabolomics, modeling chemical reactivity and admet processes part 1
Current Drug Metabolism
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Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions
Environment International, Vol. 73, pp. 288-294
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Computational tool for risk assessment of nanomaterials: Novel QSTR-perturbation model for simultaneous prediction of ecotoxicity and cytotoxicity of uncoated and coated nanoparticles under multiple experimental conditions
Environmental Science and Technology, Vol. 48, Núm. 24, pp. 14686-14694
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Computer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach
Nanoscale, Vol. 6, Núm. 18, pp. 10623-10630
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Matrix trace operators: From spectral moments of molecular graphs and complex networks to perturbations in synthetic reactions, micelle nanoparticles, and drug ADME processes
Current Drug Metabolism, Vol. 15, Núm. 4, pp. 470-488
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QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
Current Drug Metabolism, Vol. 15, Núm. 4, pp. 414-428
2013
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Model for high-throughput screening of multitarget drugs in chemical neurosciences: Synthesis, assay, and theoretic study of rasagiline carbamates
ACS Chemical Neuroscience, Vol. 4, Núm. 10, pp. 1393-1403
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Patents of bio-active compounds based on computer-aided drug discovery techniques
Frontiers in Bioscience - Elite, Vol. 5 E, Núm. 2, pp. 399-407
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S2SNET: A tool for transforming characters and numeric sequences into star network topological indices in chemoinformatics, bioinformatics, biomedical, and social-legal sciences
Current Bioinformatics, Vol. 8, Núm. 4, pp. 429-437
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TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases
Bioorganic and Medicinal Chemistry, Vol. 21, Núm. 7, pp. 1870-1879