Humberto González Díaz
Orcid: 0000-0002-9392-2797
According to our database1,
Humberto González Díaz
authored at least 33 papers
between 2000 and 2024.
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Bibliography
2024
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products.
J. Cheminformatics, December, 2024
From molecular mechanisms of prostate cancer to translational applications: based on multi-omics fusion analysis and intelligent medicine.
Health Inf. Sci. Syst., December, 2024
2023
Machine learning in antibacterial discovery and development: A bibliometric and network analysis of research hotspots and trends.
Comput. Biol. Medicine, March, 2023
2022
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives.
J. Chem. Inf. Model., 2022
2019
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks.
J. Chem. Inf. Model., 2019
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.
J. Chem. Inf. Model., 2019
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.
J. Chem. Inf. Model., 2019
2018
Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies.
J. Chem. Inf. Model., 2018
J. Chem. Inf. Model., 2018
2017
Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants.
J. Chem. Inf. Model., 2017
Experimental study and Random Forest prediction model of microbiome cell surface hydrophobicity.
Expert Syst. Appl., 2017
2015
Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties.
Biosyst., 2015
2014
Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node Descriptors.
J. Chem. Inf. Model., 2014
ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks.
J. Chem. Inf. Model., 2014
2013
The Rücker-Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics.
Biosyst., 2013
2012
New Markov-Autocorrelation Indices for Re-evaluation of Links in Chemical and Biological Complex Networks used in Metabolomics, Parasitology, Neurosciences, and Epidemiology.
J. Chem. Inf. Model., 2012
2011
Proceedings of the Towards an Information Theory of Complex Networks, 2011
2010
Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks.
J. Comput. Chem., 2010
2009
Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials.
J. Comput. Chem., 2009
2008
MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with an HMM Model and Isolation from <i>Schizosaccharomyces pombe</i>, Prediction, and Experimental Assay of a New Sequence.
J. Chem. Inf. Model., 2008
Comparative Study of Topological Indices of Macro/Supramolecular RNA Complex Networks.
J. Chem. Inf. Model., 2008
QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks.
J. Comput. Chem., 2008
2007
Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals.
J. Comput. Chem., 2007
Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments.
J. Comput. Chem., 2007
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices.
J. Comput. Chem., 2007
2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function.
J. Comput. Chem., 2007
Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems.
J. Comput. Chem., 2007
2004
J. Chem. Inf. Model., 2004
2003
TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides.
J. Chem. Inf. Comput. Sci., 2003
What Are the Limits of Applicability for Graph Theoretic Descriptors in QSPR/QSAR? Modeling Dipole Moments of Aromatic Compounds with TOPS-MODE Descriptors.
J. Chem. Inf. Comput. Sci., 2003
Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: central chirality codification, classification of ACE inhibitors and prediction of \sigma-receptor antagonist activities.
Comput. Biol. Chem., 2003
Markovian negentropies in bioinformatics. 1. A picture of footprints after the interaction of the HIV-1 -RNA packaging region with drugs.
Bioinform., 2003
2000
Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach.
J. Chem. Inf. Comput. Sci., 2000