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ORCIDHumberto González Díaz
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2020 – today
- 2024
[j33]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): 6 (2024)- [j32]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): 9 (2024) - [j31]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): 1841-1852 (2024) - 2023
- [j30]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: 106638 (2023) - 2022
- [j29]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): 3928-3940 (2022)
2010 – 2019
- 2019
- [j28]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): 86-97 (2019) - [j27]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): 1109-1120 (2019) - [j26]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): 2538-2544 (2019) - 2018
- [j25]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): 1384-1396 (2018) - [j24]Vincent Blay, Toshiyuki Yokoi, Humberto González Díaz:
Perturbation Theory-Machine Learning Study of Zeolite Materials Desilication. J. Chem. Inf. Model. 58(12): 2414-2419 (2018) - 2017
- [j23]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: 306-316 (2017) - [j22]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): 1029-1044 (2017) - 2015
- [j21]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. 132-133: 20-34 (2015) - 2014
- [j20]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): 16-29 (2014) - [j19]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): 744-755 (2014) - 2013
- [j18]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): 199-207 (2013) - 2012
- [j17]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): 3331-3340 (2012) - 2011
- [p1]Cristian R. Munteanu, Julián Dorado, Alejandro Pazos Sierra, Francisco J. Prado-Prado, L. G. Pérez-Montoto, Santiago Vilar, Florencio M. Ubeira, Angeles Sánchez-Gonzaléz, Maykel Cruz-Monteagudo, Sonia Arrasate, Nuria Sotomayor, Esther Lete, Aliuska Duardo-Sánchez, Antonio Díaz-López, Grace Patlewicz, Humberto González Díaz:
Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks. Towards an Information Theory of Complex Networks 2011: 199-258 - 2010
- [j16]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): 164-173 (2010)
2000 – 2009
- 2009
- [j15]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): 1510-1520 (2009) - 2008
- [j14]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): 2613-2622 (2008) - [j13]Guillermín Agüero-Chapín, Humberto González Díaz, Gustavo de la Riva, Edrey Rodríguez, Aminael Sánchez-Rodríguez, Gianni Podda, Roberto I. Vazquez-Padrón:
MMM-QSAR Recognition of Ribonucleases without Alignment: Comparison with an HMM Model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental Assay of a New Sequence. J. Chem. Inf. Model. 48(2): 434-448 (2008) - [j12]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): 2265-2277 (2008) - 2007
- [j11]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): 1042-1048 (2007) - [j10]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): 1049-1056 (2007) - [j9]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): 1909-1923 (2007) - [j8]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): 1990-1995 (2007) - [j7]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): 656-667 (2007) - 2004
- [j6]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): 515-521 (2004) - 2003
- [j5]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): 2079-2087 (2003) - [j4]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): 217-227 (2003) - [j3]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): 75-84 (2003) - [j2]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): 1192-1199 (2003) - 2000
- [j1]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): 1386-1399 (2000)
Coauthor Index
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