Humberto González Díaz - researchr alias

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Viewing Publication 1 - 30 from 30

2024

2023

Machine learning in antibacterial discovery and development: A bibliometric and network analysis of research hotspots and trendsKarel Diéguez-Santana, Humberto González Díaz. cbm, 155:106638, March 2023. [doi]

2022

Prediction of Antileishmanial Compounds: General Model, Preparation, and Evaluation of 2-Acylpyrrole DerivativesCarlos Santiago, Bernabé Ortega-Tenezaca, Iratxe Barbolla, Brenda Fundora-Ortiz, Sonia Arrasate, María Auxiliadora Dea-Ayuela, Humberto González Díaz, Nuria Sotomayor, Esther Lete. jcisd, 62(16):3928-3940, 2022. [doi]

2019

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR ModelsPravin Ambure, Amit Kumar Halder, Humberto González Díaz, M. Natália D. S. Cordeiro. jcisd, 59(6):2538-2544, 2019. [doi]

MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase InhibitorsMichael González-Durruthy, Silvana Manske Nunes, Juliane Ventura-Lima, Marcos A. Gelesky, Humberto González Díaz, José M. Monserrat, Riccardo Concu, M. Natália D. S. Cordeiro. jcisd, 59(1):86-97, 2019. [doi]

Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic NetworksDeyani 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. jcisd, 59(3):1109-1120, 2019. [doi]

2018

Perturbation Theory-Machine Learning Study of Zeolite Materials DesilicationVincent Blay, Toshiyuki Yokoi, Humberto González Díaz. jcisd, 58(12):2414-2419, 2018. [doi]

Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical StudiesLorena Simón-Vidal, Oihane García-Calvo, Uxue Oteo, Sonia Arrasate, Esther Lete, Nuria Sotomayor, Humberto González Díaz. jcisd, 58(7):1384-1396, 2018. [doi]

2017

2015

Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. countiesDiana María Herrera-Ibatá, Alejandro Pazos, Ricardo Alfredo Orbegozo-Medina, Francisco Javier Romero-Durán, Humberto González Díaz. biosystems, 132:20-34, 2015. [doi]

2014

Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node DescriptorsAliuska Duardo-Sánchez, Cristian R. Munteanu, Pablo Riera-Fernández, Antonio López-Díaz, Alejandro Pazos, Humberto González Díaz. jcisd, 54(1):16-29, 2014. [doi]

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 NetworksHumberto González Díaz, Diana María Herrera-Ibatá, Aliuska Duardo-Sánchez, Cristian R. Munteanu, Ricardo Alfredo Orbegozo-Medina, Alejandro Pazos. jcisd, 54(3):744-755, 2014. [doi]

2013

The Rücker-Markov invariants of complex Bio-Systems: Applications in Parasitology and NeuroinformaticsHumberto González Díaz, Pablo Riera-Fernández, Alejandro Pazos, Cristian R. Munteanu. biosystems, 111(3):199-207, 2013. [doi]

2012

New Markov-Autocorrelation Indices for Re-evaluation of Links in Chemical and Biological Complex Networks used in Metabolomics, Parasitology, Neurosciences, and EpidemiologyHumberto González Díaz, Pablo Riera-Fernández. jcisd, 52(12):3331-3340, 2012. [doi]

2011

2009

Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentialsRiccardo Concu, Gianni Podda, Eugenio Uriarte, Humberto González Díaz. jcc, 30(9):1510-1520, 2009. [doi]

2008

2007

Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systemsMaykel Cruz-Monteagudo, Humberto González Díaz, Guillermín Agüero-Chapín, Lourdes Santana, Fernanda Borges, Elena Rosa Domínguez, Gianni Podda, Eugenio Uriarte. jcc, 28(11):1909-1923, 2007. [doi]

Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral momentsHumberto González Díaz, Liane Saíz-urra, Reinaldo Molina Ruiz, Yenny González-Díaz, Angeles Sánchez-González. jcc, 28(6):1042-1048, 2007. [doi]

Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungalsHumberto González Díaz, Francisco J. Prado-Prado. jcc, 29(4):656-667, 2007. [doi]

2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological functionHumberto González Díaz, Guillermín Agüero-Chapín, Javier Varona, Reinaldo Molina Ruiz, Giovanna Delogu, Lourdes Santana, Eugenio Uriarte, Gianni Podda. jcc, 28(6):1049-1056, 2007. [doi]

Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indicesHumberto González Díaz, Yunierkis Pérez-castillo, Gianni Podda, Eugenio Uriarte. jcc, 28(12):1990-1995, 2007. [doi]

2004

Designing Antibacterial Compounds through a Topological Substructural ApproachEnrique Molina, Humberto González Díaz, Maykel Pérez González, Elismary Rodríguez, Eugenio Uriarte. jcisd, 44(2):515-521, 2004. [doi]

2003

Markovian negentropies in bioinformatics. 1. A picture of footprints after the interaction of the HIV-1 -RNA packaging region with drugsHumberto González Díaz, Ronal Ramos de Armas, Reinaldo Molina Ruiz. bioinformatics, 19(16):2079-2087, 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 activitiesHumberto González Díaz, Ivan Hernández Sánchez, Eugenio Uriarte, Lourdes Santana. CANDC, 27(3):217-227, 2003. [doi]

TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New HerbicidesMaykel Pérez González, Humberto González Díaz, Reinaldo Molina Ruiz, Miguel A. Cabrera, Ronal Ramos de Armas. jcisd, 43(4):1192-1199, 2003. [doi]

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