Humberto González Díaz

Publication Activity (10 Years)

Years Active: 2000-2024
Publications (10 Years): 12

Top Topics

Machine Learning

Shannon Entropy

Computational Models

Complex Networks

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Comput. Biol. Medicine

Publications

Paula Carracedo-Reboredo, Eider Aranzamendi, Shan He, Sonia Arrasate, Cristian R. Munteanu, Carlos Fernandez-Lozano, Nuria Sotomayor, Esther Lete, Humberto González Díaz
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products. J. Cheminformatics 16 (1) (2024)
Yendrek Velásquez-López, Andrea Ruiz-Escudero, Sonia Arrasate, Humberto González Díaz
Implementation of IFPTML Computational Models in Drug Discovery Against Flaviviridae Family. J. Chem. Inf. Model. 64 (6) (2024)
Shumin Ren, Jiakun Li, Julián Dorado, Alejandro Pazos Sierra, Humberto González Díaz, Aliuska Duardo-Sánchez, Bairong Shen
From molecular mechanisms of prostate cancer to translational applications: based on multi-omics fusion analysis and intelligent medicine. Health Inf. Sci. Syst. 12 (1) (2024)
Karel Diéguez-Santana, Humberto González Díaz
Machine learning in antibacterial discovery and development: A bibliometric and network analysis of research hotspots and trends. Comput. Biol. Medicine 155 (2023)
Carlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, Brenda Fundora-Ortiz, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González Díaz, Nuria Sotomayor, Esther Lete
Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole Derivatives. J. Chem. Inf. Model. 62 (16) (2022)
Deyani Nocedo-Mena, Carlos Cornelio, María del Rayo Camacho-Corona, Elvira Garza-González, Noemi Waksman de Torres, Sonia Arrasate, Nuria Sotomayor, Esther Lete, Humberto González Díaz
Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks. J. Chem. Inf. Model. 59 (3) (2019)
Pravin Ambure, Amit Kumar Halder, Humberto González Díaz, M. Natália Dias Soeiro Cordeiro
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models. J. Chem. Inf. Model. 59 (6) (2019)
Michael González-Durruthy, Silvana Manske Nunes, Juliane Ventura-Lima, Marcos A. Gelesky, Humberto González Díaz, José Maria Monserrat, Riccardo Concu, M. Natália Dias Soeiro Cordeiro
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors. J. Chem. Inf. Model. 59 (1) (2019)
Lorena Simón-Vidal, Oihane García-Calvo, Uxue Oteo, Sonia Arrasate, Esther Lete, Nuria Sotomayor, Humberto González Díaz
Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies. J. Chem. Inf. Model. 58 (7) (2018)
Vincent Blay, Toshiyuki Yokoi, Humberto González Díaz
Perturbation Theory-Machine Learning Study of Zeolite Materials Desilication. J. Chem. Inf. Model. 58 (12) (2018)
Yong Liu, Shaoxun Tang, Carlos Fernandez-Lozano, Cristian R. Munteanu, Alejandro Pazos, Yi-zun Yu, Zhiliang Tan, Humberto González Díaz
Experimental study and Random Forest prediction model of microbiome cell surface hydrophobicity. Expert Syst. Appl. 72 (2017)
Michael González-Durruthy, Luciane C. Alberici, Carlos Curti, Zeki Naal, David T. Atique-Sawazaki, José Manuel Vázquez-Naya, Humberto González Díaz, Cristian R. Munteanu
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. 57 (5) (2017)
Diana María Herrera-Ibatá, Alejandro Pazos, Ricardo Alfredo Orbegozo-Medina, Francisco Javier Romero-Durán, Humberto González Díaz
Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties. Biosyst. (2015)
Humberto González Díaz, Diana María Herrera-Ibatá, Aliuska Duardo-Sánchez, Cristian R. Munteanu, Ricardo Alfredo Orbegozo-Medina, Alejandro Pazos
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. 54 (3) (2014)
Aliuska Duardo-Sánchez, Cristian R. Munteanu, Pablo Riera-Fernández, Antonio López-Díaz, Alejandro Pazos, Humberto González Díaz
Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node Descriptors. J. Chem. Inf. Model. 54 (1) (2014)
Humberto González Díaz, Pablo Riera-Fernández, Alejandro Pazos, Cristian R. Munteanu
The Rücker-Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics. Biosyst. 111 (3) (2013)
Humberto González Díaz, Pablo Riera-Fernández
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. 52 (12) (2012)
Francisco J. Prado-Prado, Florencio M. Ubeira, Fernanda Borges, Humberto González Díaz
Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks. J. Comput. Chem. 31 (1) (2010)
Riccardo Concu, Gianni Podda, Eugenio Uriarte, Humberto González Díaz
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. 30 (9) (2009)
Guillermín Agüero-Chapín, Agostinho Antunes, Florencio M. Ubeira, Kuo-Chen Chou, Humberto González Díaz
Comparative Study of Topological Indices of Macro/Supramolecular RNA Complex Networks. J. Chem. Inf. Model. 48 (11) (2008)
Guillermín Agüero-Chapín, Humberto González Díaz, Gustavo de la Riva, Edrey Rodríguez, Aminael Sánchez-Rodríguez, Gianni Podda, Roberto I. Vazquez-Padrón
, Prediction, and Experimental Assay of a New Sequence. J. Chem. Inf. Model. 48 (2) (2008)
Santiago Vilar, Humberto González Díaz, Lourdes Santana, Eugenio Uriarte
QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks. J. Comput. Chem. 29 (16) (2008)
Humberto González Díaz, Guillermín Agüero-Chapín, Javier Varona, Reinaldo Molina Ruiz, Giovanna Delogu, Lourdes Santana, Eugenio Uriarte, Gianni Podda
2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function. J. Comput. Chem. 28 (6) (2007)
Humberto González Díaz, Francisco J. Prado-Prado
Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals. J. Comput. Chem. 29 (4) (2007)
Humberto González Díaz, Liane Saíz-urra, Reinaldo Molina Ruiz, Yenny González-Díaz, Angeles Sánchez-González
Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments. J. Comput. Chem. 28 (6) (2007)
Humberto González Díaz, Yunierkis Pérez-Castillo, Gianni Podda, Eugenio Uriarte
Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices. J. Comput. Chem. 28 (12) (2007)
Maykel Cruz-Monteagudo, Humberto González Díaz, Guillermín Agüero-Chapín, Lourdes Santana, Fernanda Borges, Elena Rosa Domínguez, Gianni Podda, Eugenio Uriarte
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. 28 (11) (2007)
Enrique Molina Pérez, Humberto González Díaz, Maykel Pérez González, Elismary Rodríguez, Eugenio Uriarte
Designing Antibacterial Compounds through a Topological Substructural Approach. J. Chem. Inf. Model. 44 (2) (2004)
Humberto González Díaz, Ronal Ramos de Armas, Reinaldo Molina Ruiz
Markovian negentropies in bioinformatics. 1. A picture of footprints after the interaction of the HIV-1 -RNA packaging region with drugs. Bioinform. 19 (16) (2003)
Ernesto Estrada, Humberto González Díaz
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. 43 (1) (2003)
Humberto González Díaz, Ivan Hernández Sánchez, Eugenio Uriarte, Lourdes Santana
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. 27 (3) (2003)
Maykel Pérez González, Humberto González Díaz, Reinaldo Molina Ruiz, Miguel A. Cabrera, Ronal Ramos de Armas
TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides. J. Chem. Inf. Comput. Sci. 43 (4) (2003)
Ernesto Estrada, Yaquelin Gutierrez, Humberto González Díaz
Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach. J. Chem. Inf. Comput. Sci. 40 (6) (2000)