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Identification

Personal identification

Full name
Humberto González Díaz

Citation names

  • González-Díaz, H.

Author identifiers

Ciência ID
281A-C4FD-551D
ORCID iD
0000-0002-9392-2797
Google Scholar ID
https://scholar.google.com/citations?user=5lKu31YAAAAJ&hl=en
Researcher Id
A-6785-2012
Education
Degree Classification
2002 - 2005
Concluded
 PhD in Organic Chemistry (Doktor (PhD))
Universidade de Santiago de Compostela, Spain
"NUEVOS DESCRIPTORES MOLECULARES BASADOS EN CADENAS DE MARKOV: ESTUDIOS DE RELACIÓN ESTRUCTURA-PROPIEDAD Y BIOINFORMÁTICA" (THESIS/DISSERTATION)
Affiliation

Science

Category
Host institution 		Employer
2013/01/01 - Current Principal Investigator (Research) Ikerbasque, Spain
Universidad del País Vasco - Campus Bizkaia, Spain
2013/01/01 - Current Principal Investigator (Research) Universidad del País Vasco - Campus Bizkaia, Spain
2019 - 2020 Invited Principal Investigator (Research) Unidad de Biofísica, Spain
Biofisika Bizkaia Fundazioa (BBF), Spain
Projects

Grant

Designation Funders
2019/09 - 2021/12 BIOPHYS.PTML: Perturbation-Theory Machine Learning (PTML) Models for Biophysics
BBF-BIOPHYS-PTML-2019
 Biofisika Bizkaia Fundazioa (BBF)
2018/11 - 2021/10 PANELFIT: Participatory Approaches to a New Ethical and Legal Framework for ICT
H2020-EU.5.g. , H2020-EU.5.f.
 European Commission
2019/07 - 2020/07 CHAIN: Computational prediction of eco-friendly alternative building-blocks for fuel blends in petro-chemistry with Perturbation-Theory Machine Learning (TPML) models
ELKARTEK-CHAIN-2019
 Gobierno Vasco
2017 - 2019 Reacciones de activación C-H catalizadas por metales de transición en síntesis y funcionalización de heterociclos. Nuevas aplicaciones sintéticas y modelos computacionales
MINECO (CTQ2016-74881-P) - 2017 - 2019
 Ministerio de Economía y Competitividad
Outputs

Publications

Book
  1. Díaz, Humberto. MOL2NET: FROM MOLECULES TO NETWORKS (PROCEEDINGS BOOK), Eds: H. Gonzalez-Diaz, S. Arrasate, N. Sotomayor, E. Lete, F. Cossío, E. Dominguez, D. Bonchev, S. Basak, D. Quesada, A. Duardo-Sanchez, J.J. Chou, C.M. Romeo-Casabona. ISBN: 978-3-03842-817-6, ISSN: 2624-5078, MDPI Sciforum, Basel, Switzerland, (2018) Vol. 1, 761 pp.. Switzerland. 2018.
    10.3390/mol2net-02-05189
  2. Díaz, Humberto. MOL2NET: FROM MOLECULES TO NETWORKS (PROCEEDINGS BOOK), Eds: H. Gonzalez-Diaz, S. Arrasate, N. Sotomayor, E. Lete, F. Cossío, E. Dominguez, D. Bonchev, S. Basak, D. Quesada, J.J. Chou. ISBN: 978-3-03842-819-0, ISSN: 2624-5078, MDPI Sciforum, Basel, Switzerland, (2018) Vol. 3, 679 pp.. Switzerland. 2018.
    10.3390/mol2net-03-05179
  3. Díaz, Humberto. MOL2NET: FROM MOLECULES TO NETWORKS (PROCEEDINGS BOOK), Eds: H. Gonzalez-Diaz, S. Arrasate, N. Sotomayor, E. Lete, F. Cossío, E. Dominguez, D. Bonchev, S. Basak, A. Reitz, J.J. Chou, A. Pazos, D. Quesada, B. Rasulev, C. Munteanu, M.N.DS. Cordeiro, K. Shameer, J.R. Beiras, B. Shen. ISBN: 978-3-03842-818-3, ISSN: 2624-5078, MDPI Sciforum, Basel, Switzerland, (2018) Vol. 2., 480 pp.. Switzerland. 2018.
    10.3390/mol2net-02-05133
  4. González-Díaz, H.; Ferino, G.; Prado-Prado, F.J.; Vilar, S.; Uriarte, E.; Pazos, A.; Munteanu, C.R.. Protein graphs in cancer prediction. 2010.
    10.1007/978-90-481-2675-0_7
  5. Concu, R.; Podda, G.; Uriarte, E.; Prado-Prado, F.J.; Del Río Vazquez, M.A.; González-Díaz, H.. A new computational chemistry and complex networks approach to structure-function and similarity relationships in protein enzymes. 2010.
  6. González-Díaz, H.; Agüero-Chapin, G.; Munteanu, C.R.; Prado-Prado, F.; Chou, K.-C.; Duardo-Sanchez, A.; Patlewicz, G.; López-Diaz, A.. Alignment-free models in plant genomics: Theoretical, experimental, and legal issues. 2010.
Conference paper
  1. Humbert Gonzalez-Diaz. "PTML: Perturbation-Theory Machine Learning notes". 2018.
    10.3390/mol2net-04-05463
  2. Díaz, Humberto. "Prediction of RIFIN proteins with gene orientation network indices". 2018.
    10.3390/mol2net-03-05124
  3. Bernabe Ortega-Tenezaca; Humbert Gonzalez-Diaz; Viviana Quevedo-Tumailli. "FRAMA 1.0: Framework for Moving Average Operators Calculation in Data Analysis". 2017.
    10.3390/mol2net-03-05044
  4. Viviana Quevedo; Bernabé Ortega-Tenezaca; Julio César Vargas-Burgos; Alejandro Pazos-Sierra; Humbert González-Díaz. "Notes Towards a Network Approach to Gene Orientation". 2017.
    10.3390/mol2net-03-05092
  5. Humberto González-Díaz. "Editorial: MOL2NET 2016, International Conference Series on Multidisciplinary Sciences.". 2016.
    10.3390/mol2net-02-00001
  6. Díaz, Humberto. "SRI-08: The 8th Annual Undergraduate Summer Research Symposium of Saint Thomas University". 2016.
    10.3390/mol2net-02-07001
  7. Humberto González-Díaz; Alejandro Pazos; Cristian Munteanu; Enrique Barreiro. "Artificial Neural Network Schedulers for Food Webs". 2016.
    10.3390/mol2net-02-05002
  8. Lorena Simon-Vidal; Humbert González-Díaz; Sonia Arrasate; Nuria Sotomayor; Esther Lete. "QSRR Prediction of Parham reactions yield taking into consideration different reaction conditions". 2016.
    10.3390/mol2net-02-a001
  9. Humberto González-Díaz; Asier Gómez-SanJuan; Sonia Arrasate; Nuria Sotomayor; Esther Lete. "Perturbation Theory Modeling of Intramolecular Carbolithiation Reactions". 2015.
    10.3390/mol2net-1-a013
  10. Humberto Gonzalez-Diaz. "MOL2NET 2015 - 1st International Conference on Synergies of Experimental Groups of Molecular and Biomedical Sciences with Data, Networks, and Social Sciences Experts. Bilbao,5–15 Dec, 2015.". 2015.
    10.3390/mol2net-1-a001
  11. José M. Vázquez-Naya; Cristian R. Munteanu; Humberto González-Díaz; Carlos Fernandez-Lozano; José Antonio Seoane Fernández; Mabel Loza; Alejandro Pazos. "Bio-AIMS Chemoinformatics Web tools for proteins". 2015.
    10.3390/mol2net-1-f004
  12. Humberto González-Díaz. "Editorial: MOL2NET 2015, International Conference on Multidisciplinary Sciences.". 2015.
    10.3390/mol2net-1-00001
  13. Francisco Prado Prado; Humberto González-Díaz; Eduardo Sobarzo-Sánchez; Isela García Pintos. "Prediction of Neurological Enzyme Targets for Known and New Compounds with a Model using Galvez's Topological Indices". 2014.
    10.3390/ecsoc-18-e012
  14. Humberto Gonzalez-Diaz; Sonia Arrasate; Asier Gómez-SanJuan; Nuria Sotomayor; Esther Lete; Alejandro Speck-Planche; Maria Natália D. S. Cordeiro. "Using Bob-Jenkins Operators and Spectral Moments to Predict In-Out Perturbations in the Synthetic Pathways involving Assymetric Catalysis of Intra-molecular Carbolithiations". 2013.
    10.3390/ecsoc-17-e024
  15. Francisco Prado Prado; Esvieta Tenorio Borroto; Humberto González-Díaz. "Computational model for multiplex assay of drug immunotoxicity in macrophage - study of the anti-microbial G1 using flow cytometry". 2013.
    10.3390/ecsoc-17-e001
Journal article
  1. Enrique Barreiro; Cristian-Robert Munteanu; M. Gestal; Juan R. Rabuñal; A.Pazos; Humbert G. Díaz; Julián Dorado. "Net-Net AutoML Selection of Artificial Neural Network Topology for Brain Connectome Prediction". Applied Sciences (2020): https://www.mdpi.com/2076-3417/10/4/1308.
    10.3390/app10041308
  2. Alejandro Cabrera-Andrade; Andrés López-Cortés; Gabriela Jaramillo-Koupermann; Cesar Paz-y-Mino; Yunierkis Pérez-Castillo; Cristian-Robert Munteanu; Humbert G. Díaz; A.Pazos; Eduardo Tejera. "Gene Prioritization through Consensus Strategy, Enrichment Methodologies Analysis, and Networking for Osteosarcoma Pathogenesis". International Journal of Molecular Sciences (2020): https://www.mdpi.com/1422-0067/21/3/1053.
    10.3390/ijms21031053
  3. Concu R; Dias Soeiro Cordeiro MNDS; Munteanu CR; González-Díaz H. "PTML Model of Enzyme Subclasses for Mining the Proteome of Bio-fuel Producing Microorganisms.". Journal of proteome research (2019): http://europepmc.org/abstract/med/31081631.
    10.1021/acs.jproteome.8b00949
  4. Ambure P; Halder AK; González Díaz H; Cordeiro MNDS. "QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.". Journal of chemical information and modeling (2019): http://europepmc.org/abstract/med/31083984.
    10.1021/acs.jcim.9b00295
  5. González-Durruthy M; Monserrat JM; Viera de Oliveira P; Fagan SB; Werhli AV; Machado K; Melo A; et al. "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 (2019): http://europepmc.org/abstract/med/30868869.
    10.1021/acs.chemrestox.8b00266
  6. Nocedo-Mena D; Cornelio C; Camacho-Corona MDR; Garza-González E; Waksman de Torres N; Arrasate S; Sotomayor N; Lete E; González-Díaz H. "Modeling Antibacterial Activity with Machine Learning and Fusion of Chemical Structure Information with Microorganism Metabolic Networks.". Journal of chemical information and modeling (2019): http://europepmc.org/abstract/med/30802402.
    10.1021/acs.jcim.9b00034
  7. Linh T. Tran; Vincent Blay; Sukanya Luang; Chatchakorn Eurtivong; Sunaree Choknud; Humbert González-Díaz; James R. Ketudat Cairns. "Engineering faster transglycosidases and their acceptor specificity". Green Chemistry 21 10 (2019): 2823-2836. https://doi.org/10.1039%2Fc9gc00621d.
    10.1039/c9gc00621d
  8. Michael González-Durruthy; Silvana Manske Nunes; Juliane Ventura-Lima; Marcos A. Gelesky; Humberto González-Díaz; José M. Monserrat; Riccardo Concu; M. Natália D.S. Cordeiro. "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 59 1 (2018): 86-97. https://doi.org/10.1021%2Facs.jcim.8b00631.
    10.1021/acs.jcim.8b00631
  9. Maykel Cruz Monteagudo; Humbert González-Díaz. "New Experimental and Computational Tools for Drug Discovery: Medicinal Chemistry, Molecular Docking, and Machine Learning. Part - VI". Current Topics in Medicinal Chemistry 19 (2018): https://doi.org/10.2174%2F1568026619666181130122945.
    10.2174/1568026619666181130122945
  10. Andrés López-Cortés; César Paz-y-Miño; Alejandro Cabrera-Andrade; Stephen J. Barigye; Cristian R. Munteanu; Humberto González-Díaz; Alejandro Pazos; Yunierkis Pérez-Castillo; Eduardo Tejera. "Gene prioritization, communality analysis, networking and metabolic integrated pathway to better understand breast cancer pathogenesis". Scientific Reports 8 1 (2018): https://doi.org/10.1038%2Fs41598-018-35149-1.
    10.1038/s41598-018-35149-1
  11. Harbil Bediaga; Sonia Arrasate; Humbert González-Díaz. "PTML Combinatorial Model of ChEMBL Compounds Assays for Multiple Types of Cancer". ACS Combinatorial Science 20 11 (2018): 621-632. https://doi.org/10.1021%2Facscombsci.8b00090.
    10.1021/acscombsci.8b00090
  12. Vincent Blay; Toshiyuki Yokoi; Humbert González-Díaz. "Perturbation Theory-Machine Learning Study of Zeolite Materials Desilication". Journal of Chemical Information and Modeling (2018): https://doi.org/10.1021%2Facs.jcim.8b00383.
    10.1021/acs.jcim.8b00383
  13. Enrique Barreiro; Cristian R. Munteanu; Maykel Cruz-Monteagudo; Alejandro Pazos; Humbert González-Díaz. "Net-Net Auto Machine Learning (AutoML) Prediction of Complex Ecosystems". Scientific Reports 8 1 (2018): https://doi.org/10.1038%2Fs41598-018-30637-w.
    10.1038/s41598-018-30637-w
  14. Massimo S. Fiandaca; Raul Gonzalez-Domingueze; Humbert Gonzalez-Diaz. "New Experimental and Computational Tools for Drug Discovery: From Chemistry to Biology. Metabolomics, Pharmacokinetics, and Medicinal Chemistry. Part - IV". Current Topics in Medicinal Chemistry 18 11 (2018): 881-882. https://doi.org/10.2174%2F156802661811180808095053.
    10.2174/156802661811180808095053
  15. Joana Ferreira da Costa; David Silva; Olga Caamaño; José M. Brea; Maria Isabel Loza; Cristian R. Munteanu; Alejandro Pazos; Xerardo García-Mera; Humbert González-Díaz. "Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l-Prolyl-l-leucyl-glycinamide Peptidomimetics". ACS Chemical Neuroscience (2018): https://doi.org/10.1021%2Facschemneuro.8b00083.
    10.1021/acschemneuro.8b00083
  16. 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". Journal of Chemical Information and Modeling 58 7 (2018): 1384-1396. https://doi.org/10.1021%2Facs.jcim.8b00286.
    10.1021/acs.jcim.8b00286
  17. Arrasate S; Duardo-Sánchez A; De Miguel Beriain I; Casabona CR; González-Díaz H. "New Experimental and Computational Tools for Drug Discovery: Medicinal Chemistry, Personalized Medicine, Ethical & Legal Issues - Part-V.". Current topics in medicinal chemistry (2018): http://europepmc.org/abstract/med/30698106.
    10.2174/156802661825190118124556
  18. Quevedo-Tumailli, Viviana F; Ortega-Tenezaca, Bernabe; Gonzalez-Diaz, Humbert. "Chromosome Gene Orientations Inversion Networks (GOINs) of Plasmodium proteome.". Journal of proteome research (2018): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=MEDLINE&KeyUT=MEDLINE:29336158&KeyUID=MEDLINE:29336158.
    10.1021/acs.jproteome.7b00861
  19. Khader Shameer; Anuraj Nayarisseri; Francisco Xavier Romero Duran; Humberto Gonzalez-Diaz. "Editorial: Improving Neuropharmacology using Big Data, Machine Learning and Computational Algorithms". Current Neuropharmacology 15 8 (2017): https://doi.org/10.2174%2F1570159x1508171114113425.
    10.2174/1570159x1508171114113425
  20. Martinez-Arzate, Saul G.; Tenorio-Borroto, Esvieta; Barbabosa Pliego, Alberto; Diaz-Albiter, Hector M.; Vazquez-Chagoyan, Juan C.; Gonzalez-Diaz, Humbert. "PTML Model for Proteome Mining of B-Cell Epitopes and Theoretical-Experimental Study of Bm86 Protein Sequences from Colima, Mexico". Journal of Proteome Research 16 11 (2017): 4093-4103. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000414724100015&KeyUID=WOS:000414724100015.
    10.1021/acs.jproteome.7b00477
  21. Veitia, Maite Sylla-Iyarreta; Dumas, Francoise; Gonzalez-Diaz, Humberto. "New Experimental and Computational Tools for Drug Discovery: From Chemistry to Biology. Part-1". Current Topics in Medicinal Chemistry 17 25 (2017): 2805-2806. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000410763400001&KeyUID=WOS:000410763400001.
    10.2174/156802661725170915150842
  22. Veitia, Maite Sylla-Iyarreta; Dumas, Francoise; Gonzalez-Diaz, Humbert. "New Experimental and Computational Tools for Drug Discovery: From Chemistry to Biology. Part-II". Current Topics in Medicinal Chemistry 17 26 (2017): 2901-2902. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000413040700001&KeyUID=WOS:000413040700001.
    10.2174/156802661726171012103250
  23. Liu, Yong; Munteanu, Cristian R.; Fernandez-Lozano, Carlos; Pazos, Alejandro; Ran, Tao; Tan, Zhiliang; Yu, Yizun; et al. "Experimental Study and ANN Dual-Time Scale Perturbation Model of Electrokinetic Properties of Microbiota". Frontiers in Microbiology 8 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000404453500003&KeyUID=WOS:000404453500003.
    10.3389/fmicb.2017.01216
  24. Shameer, Khader; Nayarisseri, Anuraj; Romero Duran, Francisco Xavier; Gonzalez-Diaz, Humberto. "Improving Neuropharmacology using Big Data, Machine Learning and Computational Algorithms". Current Neuropharmacology 15 8 (2017): 1058-1061. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000415811200001&KeyUID=WOS:000415811200001.
    10.2174/1570159X1508171114113425
  25. Gonzalez-Durruthy, Michael; Monserrat, Jose M.; Rasulev, Bakhtiyor; Casanola-Martin, Gerardo M.; Barreiro Sorrivas, Jose Maria; Paraiso-Medina, Sergio; Maojo, Victor; et al. "Carbon Nanotubes' Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra". Nanomaterials 7 11 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000416783800041&KeyUID=WOS:000416783800041.
    10.3390/nano7110386
  26. Gonzalez-Durruthy, Michael; Werhli, Adriano V.; Seus, Vinicius; Machado, Karina S.; Pazos, Alejandro; Munteanu, Cristian R.; Gonzalez-Diaz, Humberto; Monserrat, Jose M.. "Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory". Scientific Reports 7 (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000413048000082&KeyUID=WOS:000413048000082.
    10.1038/s41598-017-13691-8
  27. Vazquez-Prieto, Severo; Paniagua, Esperanza; Solana, Hugo; Ubeira, Florencio M.; Gonzalez-Diaz, Humberto. "A study of the Immune Epitope Database for some fungi species using network topological indices". Molecular Diversity 21 3 (2017): 713-718. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000407623900017&KeyUID=WOS:000407623900017.
    10.1007/s11030-017-9749-4
  28. Gonzalez-Durruthy, Michael; Castro, Micheli; Nunes, Silvana Manske; Ventura-Lima, Juliane; Alberici, Luciane C.; Naal, Zeki; Atique-Sawazaki, David T.; et al. "QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload". Carbon 115 (2017): 312-330. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000395601300033&KeyUID=WOS:000395601300033.
    10.1016/j.carbon.2017.01.002
  29. Abeijon, Paula; Garcia-Mera, Xerardo; Caamano, Olga; Yanez, Matilde; Lopez-Castro, Edgar; Romero-Duran, Francisco J.; Gonzalez-Diaz, Humberto. "Multi-Target Mining of Alzheimer Disease Proteome with Hansch's QSBR-Perturbation Theory and Experimental-Theoretic Study of New Thiophene Isosters of Rasagiline". Current Drug Targets 18 5 (2017): 511-521. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000395690300004&KeyUID=WOS:000395690300004.
    10.2174/1389450116666151102095243
  30. Liu, Yong; Tang, Shaoxun; Fernandez-Lozano, Carlos; Munteanu, Cristian R.; Pazos, Alejandro; Yu, Yi-zun; Tan, Zhiliang; Gonzalez-Diaz, Humberto. "Experimental study and Random Forest prediction model of microbiome cell surface hydrophobicity". Expert Systems With Applications 72 (2017): 306-316. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000392770900026&KeyUID=WOS:000392770900026.
    10.1016/j.eswa.2016.10.058
  31. Gonzalez-Durruthy, Michael; Alberici, Luciane Carla; Naal, Zeki; Atique-Sawazaki, David T; Curti, Carlos; Vazquez-Naya, Jose Manuel; Gonzalez-Diaz, Humbert; Munteanu, Cristian Robert. "An Experimental-Computational Study of Carbon Nanotubes Effects on Mitochondrial Respiration: In Silico nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants.". Journal of chemical information and modeling (2017): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=MEDLINE&KeyUT=MEDLINE:28414908&KeyUID=MEDLINE:28414908.
    10.1021/acs.jcim.6b00458
  32. Gerardo M. Casañola-Martin; Huong Le-Thi-Thu; Facundo Pérez-Giménez; Yovani Marrero-Ponce; Matilde Merino-Sanjuán; Concepción Abad; Humberto González-Díaz. "Multi-output Model with Box-Jenkins Operators of Quadratic Indices for Prediction of Malaria and Cancer Inhibitors Targeting Ubiquitin- Proteasome Pathway (UPP) Proteins". Current Protein & Peptide Science 17 3 (2016): 220-227. https://doi.org/10.2174%2F1389203717999160226173500.
    10.2174/1389203717999160226173500
  33. Vázquez-Prieto, S.; Paniagua, E.; Ubeira, F.M.; González-Díaz, H.. "QSPR-Perturbation Models for the Prediction of B-Epitopes from Immune Epitope Database: A Potentially Valuable Route for Predicting “In Silico” New Optimal Peptide Sequences and/or Boundary Conditions for Vaccine Development". International Journal of Peptide Research and Therapeutics (2016): 1-6. http://www.scopus.com/inward/record.url?eid=2-s2.0-84961206364&partnerID=MN8TOARS.
    10.1007/s10989-016-9524-x
  34. Casañola-Martin, G.M.; Le-Thi-Thu, H.; Pérez-Giménez, F.; Marrero-Ponce, Y.; Merino-Sanjuán, M.; Abad, C.; González-Díaz, H.. "Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins". Current Protein and Peptide Science 17 3 (2016): 220-227. http://www.scopus.com/inward/record.url?eid=2-s2.0-84961704457&partnerID=MN8TOARS.
  35. Gonzalez-Durruthy, Michael; Werhli, Adriano V.; Cornetet, Luisa; Machado, Karina S.; Gonzalez-Diaz, Humberto; Wasiliesky, Wilson, Jr.; Ruas, Caroline Pires; Gelesky, Marcos A.; Monserrat, Jose M.. "Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory". Rsc Advances 6 63 (2016): 58680-58693. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000378725800106&KeyUID=WOS:000378725800106.
    10.1039/c6ra08883j
  36. Blazquez-Barbadillo, C.; Aranzamendi, E.; Coya, E.; Lete, E.; Sotomayor, N.; Gonzalez-Diaz, H.. "Perturbation theory model of reactivity and enantioselectivity of palladium-catalyzed Heck-Heck cascade reactions". Rsc Advances 6 45 (2016): 38602-38610. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000374972800013&KeyUID=WOS:000374972800013.
    10.1039/c6ra08751e
  37. Ran, Tao; Liu, Yong; Li, Hengzhi; Tang, Shaoxun; He, Zhixiong; Munteanu, Cristian R.; Gonzalez-Diaz, Humberto; Tan, Zhiliang; Zhou, Chuanshe. "Gastrointestinal Spatiotemporal mRNA Expression of Ghrelin vs Growth Hormone Receptor and New Growth Yield Machine Learning Model Based on Perturbation Theory". Scientific Reports 6 (2016): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000380327500001&KeyUID=WOS:000380327500001.
    10.1038/srep30174
  38. Tenorio-Borroto, Esvieta; Ramirez, Fabiola Rivera; Vazquez Chagoyan, Juan Carlos; de Oca Jimenez, Roberto Montes; Garcia-Mera, Xerardo; Gonzalez-Diaz, Humberto. "Experimental-Theoretic Approach to Drug-Lymphocyte Interactome Networks with Flow Cytometry and Spectral Moments Perturbation Theory.". Current pharmaceutical design 22 33 (2016): 5114-5119. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=MEDLINE&KeyUT=MEDLINE:27494066&KeyUID=MEDLINE:27494066.
  39. Todeschini, Roberto; Pazos, Alejandro; Arrasate, Sonia; Gonzalez-Diaz, Humberto. "Data Analysis in Chemistry and Bio-Medical Sciences". International Journal of Molecular Sciences 17 12 (2016): http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000392280500149&KeyUID=WOS:000392280500149.
    10.3390/ijms17122105
  40. Messina, Paula V.; Miguel Besada-Porto, Jose; Rial, Ramon; Gonzalez-Diaz, Humberto; Ruso, Juan M.. "Computational Modeling and Experimental Facts of Mixed Self-Assembly Systems". Current Pharmaceutical Design 22 34 (2016): 5249-5256. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000388516000008&KeyUID=WOS:000388516000008.
    10.2174/1381612822666160513150054
  41. Aranzamendi, Eider; Arrasate, Sonia; Sotomayor, Nuria; Gonzalez-Diaz, Humberto; Lete, Esther. "Chiral Bronsted Acid-Catalyzed Enantioselective alpha-Amidoalkylation Reactions: A Joint Experimental and Predictive Study". Chemistryopen 5 6 (2016): 540-549. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000393071500009&KeyUID=WOS:000393071500009.
    10.1002/open.201600120
  42. Nayarisseri, Anuraj; Bonchev, Danail; Basak, Subhash C.; Gonzalez-Diaz, Humberto. "Chemoinformatics Models for Pharmaceutical Design, Part 2". Current Pharmaceutical Design 22 34 (2016): 5177-5178. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000388516000001&KeyUID=WOS:000388516000001.
    10.2174/138161282234161110222751
  43. Gonzalez-Diaz, Humberto; Nayarisseri, Anuraj; Bonchev, Danail; Basak, Subhash C.. "Chemoinformatics Models for Pharmaceutical Design, Part 1". Current Pharmaceutical Design 22 33 (2016): 5041-5042. http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=ORCID&SrcApp=OrcidOrg&DestLinkType=FullRecord&DestApp=WOS_CPL&KeyUT=WOS:000388515100001&KeyUID=WOS:000388515100001.
    10.2174/138161282233161109224932
  44. Liu, Y.; Ran, T.; Tenorio-Borroto, E.; Tang, S.; Pazos, A.; Tan, Z.; González-Díaz, H.. "Experimental and chemometric studies of cell membrane permeability". Chemometrics and Intelligent Laboratory Systems 154 (2016): 1-6. http://www.scopus.com/inward/record.url?eid=2-s2.0-84962289394&partnerID=MN8TOARS.
    10.1016/j.chemolab.2016.03.010
  45. Liu, Y.; Peñuelas-Rivas, C.G.; Tenorio-Borroto, E.; Rivas-Guevara, M.; Buendía-Rodríguez, G.; Tan, Z.; González-Díaz, H.. "Chemometric approach to fatty acid metabolism-distribution networks and methane production in ruminal microbiome". Chemometrics and Intelligent Laboratory Systems 151 (2016): 1-8. http://www.scopus.com/inward/record.url?eid=2-s2.0-84949945712&partnerID=MN8TOARS.
    10.1016/j.chemolab.2015.11.008
  46. Romero-Durán, F.J.; Alonso, N.; Yañez, M.; Caamaño, O.; García-Mera, X.; González-Díaz, H.. "Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives". Neuropharmacology 103 (2016): 270-278. http://www.scopus.com/inward/record.url?eid=2-s2.0-84953225344&partnerID=MN8TOARS.
    10.1016/j.neuropharm.2015.12.019
  47. Diana Maria Herrera-Ibata; Ricardo Alfredo Orbegozo-Medina; Humberto Gonzalez-Diaz. "Multiscale Mapping of AIDS in U.S. Countries vs Anti-HIV Drugs Activity with Complex Networks and Information Indices". Current Bioinformatics 10 5 (2015): 639-657. https://doi.org/10.2174%2F1574893610666151008012648.
    10.2174/1574893610666151008012648
  48. Aliuska Duardo-Sanchez; Humberto Gonzalez-Diaz; Alejandro Pazos. "MI-NODES Multiscale Models of Metabolic Reactions, Brain Connectome, Ecological, Epidemic, World Trade, and Legal-Social Networks". Current Bioinformatics 10 5 (2015): 692-713. https://doi.org/10.2174%2F1574893610666151008013413.
    10.2174/1574893610666151008013413
  49. Aliuska Duardo-Sanchez; Humberto Gonzalez-Diaz; Alejandro Pazos. "MIANN Models of Networks of Biochemical Reactions, Ecosystems, and U.S. Supreme Court with Balaban-Markov Indices". Current Bioinformatics 10 5 (2015): 658-671. https://doi.org/10.2174%2F1574893610666151008012752.
    10.2174/1574893610666151008012752
  50. Diana Herrera-Ibatá; Humberto González-Díaz. "Editorial (Thematic Issue: Multiscale Models in Cheminformatics, Complex Bio-Molecular Systems, and Social Networks)". Current Bioinformatics 10 5 (2015): 500-502. https://doi.org/10.2174%2F157489361005151113172653.
    10.2174/157489361005151113172653
  51. Cristian Munteanu; Humberto Gonzalez-Diaz; Rafael Garcia; Mabel Loza; Alejandro Pazos. "Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models". Combinatorial Chemistry & High Throughput Screening 18 8 (2015): 735-750. https://doi.org/10.2174%2F1386207318666150803140950.
    10.2174/1386207318666150803140950
  52. Liu, Y.; Buendía-Rodríguez, G.; Peñuelas-Rívas, C.G.; Tan, Z.; Rívas-Guevara, M.; Tenorio-Borroto, E.; Munteanu, C.R.; Pazos, A.; González-Díaz, H.. "Experimental and computational studies of fatty acid distribution networks". Molecular BioSystems 11 11 (2015): 2964-2977. http://www.scopus.com/inward/record.url?eid=2-s2.0-84944201902&partnerID=MN8TOARS.
    10.1039/c5mb00325c
  53. Messina, P.V.; Besada-Porto, J.M.; González-Díaz, H.; Ruso, J.M.. "Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental-Computational Study of NaGDC-DDAB Micelles". Langmuir 31 44 (2015): 12009-12018. http://www.scopus.com/inward/record.url?eid=2-s2.0-84946887405&partnerID=MN8TOARS.
    10.1021/acs.langmuir.5b03074
  54. Munteanu, C.R.; González-Díaz, H.; García, R.; Loza, M.; Pazos, A.. "Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and Artificial Intelligence Models". Combinatorial Chemistry and High Throughput Screening 18 8 (2015): 735-750. http://www.scopus.com/inward/record.url?eid=2-s2.0-84942082783&partnerID=MN8TOARS.
  55. Herrera-Ibatá, D.M.; González-Díaz, H.. "Editorial: Multiscale models in cheminformatics, complex bio-molecular systems, and social networks". Current Bioinformatics 10 5 (2015): 500-502. http://www.scopus.com/inward/record.url?eid=2-s2.0-84959473394&partnerID=MN8TOARS.
  56. Duardo-Sanchez, A.; González-Díaz, H.; Pazos, A.. "MI-NODES multiscale models of metabolic reactions, brain connectome, ecological, epidemic, world trade, and legal-social networks". Current Bioinformatics 10 5 (2015): 692-713. http://www.scopus.com/inward/record.url?eid=2-s2.0-84959526894&partnerID=MN8TOARS.
  57. Duardo-Sánchez, A.; González-Díaz, H.; Pazos, A.. "MIANN models of networks of biochemical reactions, ecosystems, and U.S. supreme court with Balaban-Markov indices". Current Bioinformatics 10 5 (2015): 658-671. http://www.scopus.com/inward/record.url?eid=2-s2.0-84959460233&partnerID=MN8TOARS.
  58. Herrera-Ibatá, D.M.; Orbegozo-Medina, R.A.; González-Díaz, H.. "Multiscale mapping of AIDS in U.S. countries vs anti-HIV drugs activity with complex networks and information indices". Current Bioinformatics 10 5 (2015): 639-657. http://www.scopus.com/inward/record.url?eid=2-s2.0-84959550314&partnerID=MN8TOARS.
  59. Herrera-Ibatá, D.M.; Pazos, A.; Orbegozo-Medina, R.A.; Romero-Durán, F.J.; González-Díaz, H.. "Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties". BioSystems 132-133 (2015): 20-34. http://www.scopus.com/inward/record.url?eid=2-s2.0-84928748723&partnerID=MN8TOARS.
    10.1016/j.biosystems.2015.04.007
  60. Casañola-Martin, G.M.; Le-Thi-Thu, H.; Pérez-Giménez, F.; Marrero-Ponce, Y.; Merino-Sanjuán, M.; Abad, C.; González-Díaz, H.. "Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway". Molecular Diversity 19 2 (2015): 347-356. http://www.scopus.com/inward/record.url?eid=2-s2.0-84939975501&partnerID=MN8TOARS.
    10.1007/s11030-015-9571-9
  61. González-Durruthy, M.; Monserrat, J.M.; Alberici, L.C.; Naal, Z.; Curti, C.; González-Díaz, H.. "Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory". RSC Advances 5 125 (2015): 103229-103245. http://www.scopus.com/inward/record.url?eid=2-s2.0-84950109957&partnerID=MN8TOARS.
    10.1039/c5ra14435c
  62. Humberto Gonzalez-Diaz; Alejandro Speck-Planche; Maria Cordeiro. "Editorial (Thematic Issue: Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2)". Current Drug Metabolism 15 5 (2014): 489-489. https://doi.org/10.2174%2F138920021505141126101922.
    10.2174/138920021505141126101922
  63. Jorge Vergara-Galicia; Francisco Prado-Prado; Humberto Gonzalez-Diaz. "Galvez-Markov Network Transferability Indices: Review of Classic Theory and New Model for Perturbations in Metabolic Reactions". Current Drug Metabolism 15 5 (2014): 557-564. https://doi.org/10.2174%2F1389200215666140605125827.
    10.2174/1389200215666140605125827
  64. Humberto González-Díaz; Alejandro Speck-Planche; Maria Dias Soeiro Cordeiro. "Editorial (Thematic Issue: Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1)". Current Drug Metabolism 15 4 (2014): 345-345. https://doi.org/10.2174%2F138920021504141029110636.
    10.2174/138920021504141029110636
  65. Marcos Garcia-Fuentes; Humberto Gonzalez-Díaz; Noemi Csaba. "Editorial (Thematic Issue: Nanocarriers & Drug Delivery: Rational Design and Applications)". Current Topics in Medicinal Chemistry 14 9 (2014): 1095-1096. https://doi.org/10.2174%2F1568026614666140329223843.
    10.2174/1568026614666140329223843
  66. Tenorio-Borroto E; Ramirez FR; Speck-Planche A; Cordeiro MN; Luan F; Gonzalez-Diaz H. "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 (2014): http://europepmc.org/abstract/med/25204826.
    10.2174/1389200215666140908101152
  67. Gonzalez-Diaz H; Arrasate S; Juan AG; Sotomayor N; Lete E; Speck-Planche A; Ruso JM; Luan F; Cordeiro MN. "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 (2014): http://europepmc.org/abstract/med/25204825.
    10.2174/1389200215666140908101604
  68. Singla, R.K.; Varadaraj Bhat, G.; Gonzalez-Diaz, H.. "From phytochemistry to medicinal chemistry: Isolation, semisynthesis, evaluation and computational studies". Current Topics in Medicinal Chemistry 14 8 (2014): 979-980. http://www.scopus.com/inward/record.url?eid=2-s2.0-84903706313&partnerID=MN8TOARS.
    10.2174/1568026614666140324145723
  69. González-Díaz, H.; Herrera-Ibatá, D.M.; Duardo-Sánchez, A.; Munteanu, C.R.; Orbegozo-Medina, R.A.; Pazos, A.. "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". Journal of Chemical Information and Modeling 54 3 (2014): 744-755. http://www.scopus.com/inward/record.url?eid=2-s2.0-84896938175&partnerID=MN8TOARS.
    10.1021/ci400716y
  70. Kleandrova, V.V.; Luan, F.; González-Díaz, H.; Ruso, J.M.; Speck-Planche, A.; Cordeiro, M.N.D.S.. "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 48 24 (2014): 14686-14694. http://www.scopus.com/inward/record.url?eid=2-s2.0-84918498032&partnerID=MN8TOARS.
    10.1021/es503861x
  71. González-Díaz, H.; Arrasate, S.; Juan, A.G.-S.; Sotomayor, N.; Lete, E.; Speck-Planche, A.; Ruso, J.M.; Luan, F.; Cordeiro, M.N.D.S.. "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 15 4 (2014): 470-488. http://www.scopus.com/inward/record.url?eid=2-s2.0-84925751462&partnerID=MN8TOARS.
  72. González-Díaz, H.; Speck-Planche, A.; Dias Soeiro Cordeiro, M.N.. "Chemoinformatics in metabolomics, modeling chemical reactivity and admet processes part 1". Current Drug Metabolism 15 4 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84925745014&partnerID=MN8TOARS.
  73. Vergara-Galicia, J.; Prado-Prado, F.J.; González-Díaz, H.. "Galvez-markov network transferability indices: Review of classic theory and new model for perturbations in metabolic reactions". Current Drug Metabolism 15 5 (2014): 557-564. http://www.scopus.com/inward/record.url?eid=2-s2.0-84925703267&partnerID=MN8TOARS.
  74. Tenorio-Borroto, E.; Ramirez, F.R.; Speck-Planche, A.; Cordeiro, M.N.D.S.; Luan, F.; González-Díaz, H.. "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 15 4 (2014): 414-428. http://www.scopus.com/inward/record.url?eid=2-s2.0-84925714005&partnerID=MN8TOARS.
  75. González-Díaz, H.; Speck-Planche, A.; Dias Soeiro Cordeiro, M.N.. "Chemoinformatics in metabolomics, from molecular mechanics, dynamics, and docking to complex metabolic networks, part 2". Current Drug Metabolism 15 5 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84925824796&partnerID=MN8TOARS.
  76. Garcia-Fuentes, M.; Gonzalez-Díaz, H.; Csaba, N.. "Nanocarriers & drug delivery: Rational design and applications". Current Topics in Medicinal Chemistry 14 9 (2014): 1095-1096. http://www.scopus.com/inward/record.url?eid=2-s2.0-84903713603&partnerID=MN8TOARS.
  77. Duardo-Sánchez, A.; Munteanu, C.R.; Riera-Fernández, P.; López-Díaz, A.; Pazos, A.; González-Díaz, H.. "Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors". Journal of Chemical Information and Modeling 54 1 (2014): 16-29. http://www.scopus.com/inward/record.url?eid=2-s2.0-84893416568&partnerID=MN8TOARS.
    10.1021/ci400280n
  78. Tenorio-Borroto, E.; Peñuelas-Rivas, C.G.; Vásquez-Chagoyán, J.C.; Castañedo, N.; Prado-Prado, F.J.; García-Mera, X.; González-Díaz, H.. "Model for high-throughput screening of drug immunotoxicity - Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry". European Journal of Medicinal Chemistry 72 (2014): 206-220. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84892752876&partnerID=40&md5=c1b3b9209999be430f7d694d374e9e1e.
    10.1016/j.ejmech.2013.08.035
  79. González-Díaz, H.; Pérez-Montoto, L.G.; Ubeira, F.M.. "Model for vaccine design by prediction of B-epitopes of IEDB given perturbations in peptide sequence, in vivo process, experimental techniques, and source or host organisms". Journal of immunology research 2014 (2014): http://www.scopus.com/inward/record.url?eid=2-s2.0-84921905536&partnerID=MN8TOARS.
    10.1155/2014/768515
  80. Fernandez-Lozano, C.; Gestal, M.; González-Díaz, H.; Dorado, J.; Pazos, A.; Munteanu, C.R.. "Markov mean properties for cell death-related protein classification". Journal of Theoretical Biology 349 (2014): 12-21. http://www.scopus.com/inward/record.url?eid=2-s2.0-84894089315&partnerID=MN8TOARS.
    10.1016/j.jtbi.2014.01.033
  81. Luan, F.; Kleandrova, V.V.; González-Díaz, H.; Ruso, J.M.; Melo, A.; Speck-Planche, A.; Cordeiro, M.N.D.S.. "Computer-aided nanotoxicology: Assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach". Nanoscale 6 18 (2014): 10623-10630. http://www.scopus.com/inward/record.url?eid=2-s2.0-84906561362&partnerID=MN8TOARS.
    10.1039/c4nr01285b
  82. Munteanu, C.R.; Pedreira, N.; Dorado, J.; Pazos, A.; Pérez-Montoto, L.G.; Ubeira, F.M.; González-Díaz, H.. "LECTINPred: Web server that uses complex networks of protein structure for prediction of lectins with potential use as cancer biomarkers or in parasite vaccine design". Molecular Informatics 33 4 (2014): 276-285. http://www.scopus.com/inward/record.url?eid=2-s2.0-84899646306&partnerID=MN8TOARS.
    10.1002/minf.201300027
  83. Kleandrova, V.V.; Luan, F.; González-Díaz, H.; Ruso, J.M.; Melo, A.; Speck-Planche, A.; Cordeiro, M.N.D.S.. "Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions". Environment International 73 (2014): 288-294. http://www.scopus.com/inward/record.url?eid=2-s2.0-84907334885&partnerID=MN8TOARS.
    10.1016/j.envint.2014.08.009
  84. Vázquez-Prieto, S.; González-Díaz, H.; Paniagua, E.; Vilas, R.; Ubeira, F.M.. "A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain". Journal of Theoretical Biology 343 (2014): 16-24. http://www.scopus.com/inward/record.url?eid=2-s2.0-84889586149&partnerID=MN8TOARS.
    10.1016/j.jtbi.2013.11.005
  85. Herrera-Ibatá, D.M.; Pazos, A.; Orbegozo-Medina, R.A.; González-Díaz, H.. "Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties". Chemometrics and Intelligent Laboratory Systems 138 (2014): 161-170. http://www.scopus.com/inward/record.url?eid=2-s2.0-84906736663&partnerID=MN8TOARS.
    10.1016/j.chemolab.2014.08.006
  86. Romero Durán, F.J.; Alonso, N.; Caamaño, O.; García-Mera, X.; Yañez, M.; Prado-Prado, F.J.; González-Díaz, H.. "Prediction of multi-target networks of neuroprotective compounds with entropy indices and synthesis, assay, and theoretical study of new asymmetric 1,2-rasagiline carbamates". International Journal of Molecular Sciences 15 9 (2014): 17035-17064. http://www.scopus.com/inward/record.url?eid=2-s2.0-84907863082&partnerID=MN8TOARS.
    10.3390/ijms150917035
  87. Sobarzo-Sánchez E; Bilbao-Ramos P; Dea-Ayuela M; González-Díaz H; Yañez M; Uriarte E; Santana L; et al. "Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.". PloS one (2013): http://europepmc.org/abstract/med/24204870.
    10.1371/journal.pone.0077560
  88. Humberto Gonzalez-Diaz. "Editorial (Hot Topic : Computational Prediction of Drug-Target Interactions in Medicinal Chemistry)". Current Topics in Medicinal Chemistry 13 14 (2013): 1619-1621. https://doi.org/10.2174%2F15680266113139990112.
    10.2174/15680266113139990112
  89. Esvieta Tenorio-Borroto; Xerardo Garcia-Mera; Claudia Penuelas-Rivas; Juan Vasquez-Chagoyan; Francisco Prado-Prado; Nilo Castanedo; Humberto Gonzalez-Diaz. "Entropy Model for Multiplex Drug-Target Interaction Endpoints of Drug Immunotoxicity". Current Topics in Medicinal Chemistry 13 14 (2013): 1636-1649. https://doi.org/10.2174%2F15680266113139990114.
    10.2174/15680266113139990114
  90. Humberto Gonzalez-Diaz; Sonia Arrasate; Asier Gomez-SanJuan; Nuria Sotomayor; Esther Lete; Lina Besada-Porto; Juan Ruso. "General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry". Current Topics in Medicinal Chemistry 13 14 (2013): 1713-1741. https://doi.org/10.2174%2F1568026611313140011.
    10.2174/1568026611313140011
  91. Duardo-Sanchez A; Gonzalez-Diaz H. "Legal issues for chem-bioinformatics models.". Frontiers in bioscience (Elite edition) (2013): http://europepmc.org/abstract/med/23276995.
    10.2741/e621
  92. Prado-Prado F; Garcia-Mera X; Rodriguez-Borges JE; Concu R; Perez-Montoto LG; Gonzalez-Diaz H; Duardo-Sanchez A. "Patents of bio-active compounds based on computer-aided drug discovery techniques.". Frontiers in bioscience (Elite edition) (2013): http://europepmc.org/abstract/med/23276997.
    10.2741/e623
  93. González-Díaz, H.; Arrasate, S.; Sotomayor, N.; Lete, E.; Munteanu, C.R.; Pazos, A.; Besada-Porto, L.; Ruso, J.M.. "MIANN models in medicinal, Physical and Organic Chemistry". Current Topics in Medicinal Chemistry 13 5 (2013): 619-641. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878602338&partnerID=MN8TOARS.
    10.2174/1568026611313050006
  94. González-Díaz, H.. "Bioinformatics and Quantitative Structure-Property Relationship (QSPR) models". Current Bioinformatics 8 4 (2013): 387-389. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882738029&partnerID=MN8TOARS.
    10.2174/1574893611308040001
  95. Riera-Fernández, P.; Munteanu, C.R.; Martín-Romalde, R.; Duardo-Sánchez, A.; González-Díaz, H.. "Markov-Randic indices for QSPR re-evaluation of metabolic, parasite-host, fasciolosis spreading, brain cortex and legal-social complex networks". Current Bioinformatics 8 4 (2013): 401-415. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882778686&partnerID=MN8TOARS.
    10.2174/1574893611308040003
  96. Munteanu, C.R.; Magalhães, A.L.; Duardo-Sánchez, A.; Pazos, A.; González-Díaz, H.. "S2SNET: A tool for transforming characters and numeric sequences into star network topological indices in chemoinformatics, bioinformatics, biomedical, and social-legal sciences". Current Bioinformatics 8 4 (2013): 429-437. http://www.scopus.com/inward/record.url?eid=2-s2.0-84882804172&partnerID=MN8TOARS.
    10.2174/1574893611308040005
  97. González-Díaz, H.; Arrasate, S.; Gómez-San, A.J.; Sotomayor, N.; Lete, E.; Besada-Porto, L.; Ruso, J.M.. "General theory for multiple input-output perturbations in complex molecular systems. 1. linear QSPR electronegativity models in physical, organic, and medicinal chemistry". Current Topics in Medicinal Chemistry 13 14 (2013): 1713-1741. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887936819&partnerID=MN8TOARS.
  98. Tenorio-Borroto, E.; García-Mera, X.; Peñuelas-Rivas, C.G.; Vásquez-Chagoyán, J.C.; Prado-Prado, F.J.; Castañedo, N.; González-Díaz, H.. "Entropy model for multiplex drug-target interaction endpoints of drug immunotoxicity". Current Topics in Medicinal Chemistry 13 14 (2013): 1636-1649. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887917955&partnerID=MN8TOARS.
  99. González-Díaz, H.. "Computational prediction of drug-target interactions in medicinal chemistry". Current Topics in Medicinal Chemistry 13 14 (2013): 1619-1621. http://www.scopus.com/inward/record.url?eid=2-s2.0-84887862563&partnerID=MN8TOARS.
  100. Prado-Prado, F.; Garcia-Mera, X.; Rodriguez-Borges, J.E.; Concu, R.; Perez-Montoto, L.G.; Gonzalez-Diaz, H.; Duardo-Sanchez, A.. "Patents of bio-active compounds based on computer-aided drug discovery techniques". Frontiers in Bioscience - Elite 5 E 2 (2013): 399-407. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878494953&partnerID=MN8TOARS.
  101. Duardo-Sanchez, A.; Gonzalez-Diaz, H.. "Legal issues for chem-bioinformatics models". Frontiers in Bioscience - Elite 5 E 1 (2013): 361-374. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878496020&partnerID=MN8TOARS.
  102. Sobarzo-Sánchez, E.; Bilbao-Ramos, P.; Dea-Ayuela, M.; González-Díaz, H.; Yañez, M.; Uriarte, E.; Santana, L.; et al. "Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.". PloS one 8 10 (2013): http://www.scopus.com/inward/record.url?eid=2-s2.0-84892720068&partnerID=MN8TOARS.
  103. Alonso, N.; Caamaño, O.; Romero-Duran, F.J.; Luan, F.; D. S. Cordeiro, M.N.; Yañez, M.; González-Díaz, H.; García-Mera, X.. "Model for high-throughput screening of multitarget drugs in chemical neurosciences: Synthesis, assay, and theoretic study of rasagiline carbamates". ACS Chemical Neuroscience 4 10 (2013): 1393-1403. http://www.scopus.com/inward/record.url?eid=2-s2.0-84886040887&partnerID=MN8TOARS.
    10.1021/cn400111n
  104. Luan, F.; Cordeiro, M.N.D.S.; Alonso, N.; García-Mera, X.; Caamaño, O.; Romero-Duran, F.J.; Yañez, M.; González-Díaz, H.. "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 21 7 (2013): 1870-1879. http://www.scopus.com/inward/record.url?eid=2-s2.0-84875219025&partnerID=MN8TOARS.
    10.1016/j.bmc.2013.01.035
  105. González-Díaz, H.; Riera-Fernández, P.; Pazos, A.; Munteanu, C.R.. "The Rücker-Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics". BioSystems 111 3 (2013): 199-207. http://www.scopus.com/inward/record.url?eid=2-s2.0-84875276111&partnerID=MN8TOARS.
    10.1016/j.biosystems.2013.02.006
  106. Aguiar-Pulido, V.; Munteanu, C.R.; Seoane, J.A.; Fernández-Blanco, E.; Pérez-Montoto, L.G.; González-Díaz, H.; Dorado, J.. "Naïve Bayes QSDR classification based on spiral-graph Shannon entropies for protein biomarkers in human colon cancer". Molecular BioSystems 8 6 (2012): 1716-1722. http://www.scopus.com/inward/record.url?eid=2-s2.0-84861161557&partnerID=MN8TOARS.
    10.1039/c2mb25039j
  107. González-Díaz, H.. "QSAR/QSPR models as enabling technologies for drug & targets discovery in: Medicinal chemistry, microbiology-parasitology, neurosciences, bioinformatics, proteomics and other biomedical sciences". Current Topics in Medicinal Chemistry 12 8 (2012): 799-801. http://www.scopus.com/inward/record.url?eid=2-s2.0-84860263411&partnerID=MN8TOARS.
    10.2174/156802612800166738
  108. Tenorio-Borroto, E.; Peñuelas Rivas, C.G.; Vásquez Chagoyán, J.C.; Castañedo, N.; Prado-Prado, F.J.; García-Mera, X.; González-Díaz, H.. "ANN multiplexing model of drugs effect on macrophages; Theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen". Bioorganic and Medicinal Chemistry 20 20 (2012): 6181-6194. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84866900119&partnerID=40&md5=46341f7013c769e888bd9baaee6fc267.
    10.1016/j.bmc.2012.07.020
  109. Tenorio-Borroto, E.; Peñuelas-Rivas, C.G.; Vásquez-Chagoyán, J.C.; Prado-Pradoa, F.J.; García-Mera, X.; González-Díaz, H.. "Immunotoxicity, flow cytometry, and chemoinformatics: Review, bibliometric analysis, and new QSAR model of drug effects over macrophages". Current Topics in Medicinal Chemistry 12 16 (2012): 1815-1833. https://www.scopus.com/inward/record.uri?eid=2-s2.0-84875312519&partnerID=40&md5=f4344d266520c85b7afc1aaa707d69db.
    10.2174/156802612803989200
  110. González-Díaz, H.; Concu, R.; Pérez-Montoto, L.G.; Ubeira, F.M.; Romaris, F.; Paniagua, E.; Duardo-Sanchez, A.; Prado-Prado, F.. "Generalized string pseudo-folding lattices in bioinformatics: State-of-art review, new model for enzyme sub-classes, and study of ESTs on trichinella spiralis". Current Bioinformatics 7 1 (2012): 7-34. http://www.scopus.com/inward/record.url?eid=2-s2.0-84857129202&partnerID=MN8TOARS.
    10.2174/157489312799304459
  111. Riera-Fernández, P.; Munteanu, C.R.; Escobar, M.; Prado-Prado, F.; Martín-Romalde, R.; Pereira, D.; Villalba, K.; Duardo-Sánchez, A.; González-Díaz, H.. "New Markov-Shannon Entropy models to assess connectivity quality in complex networks: From molecular to cellular pathway, Parasite-Host, Neural, Industry, and Legal-Social networks". Journal of Theoretical Biology 293 (2012): 174-188. http://www.scopus.com/inward/record.url?eid=2-s2.0-80155156001&partnerID=MN8TOARS.
    10.1016/j.jtbi.2011.10.016
  112. Prado-Prado, F.; García-Mera, X.; Escobar, M.; Alonso, N.; Caamaño, O.; Yañez, M.; González-Díaz, H.. "3D MI-DRAGON: New model for the reconstruction of US FDA drug- target network and theoretical-experimental studies of inhibitors of rasagiline derivatives for AChE". Current Topics in Medicinal Chemistry 12 16 (2012): 1843-1865. http://www.scopus.com/inward/record.url?eid=2-s2.0-84875359061&partnerID=MN8TOARS.
    10.2174/156802612803989228
  113. Riera-Fernández, P.; Martín-Romalde, R.; Prado-Prado, F.J.; Escobar, M.; Munteanu, C.R.; Concu, R.; Duardo-Sanchez, A.; González-Díaz, H.. "From QSAR models of drugs to complex networks: State-of-art review and introduction of new markov-spectral moments indices". Current Topics in Medicinal Chemistry 12 8 (2012): 927-960. http://www.scopus.com/inward/record.url?eid=2-s2.0-84860277508&partnerID=MN8TOARS.
    10.2174/156802612800166819
  114. González-Díaz, H.; Riera-Fernández, P.. "New markov-autocorrelation indices for re-evaluation of links in chemical and biological complex networks used in metabolomics, parasitology, neurosciences, and epidemiology". Journal of Chemical Information and Modeling 52 12 (2012): 3331-3340. http://www.scopus.com/inward/record.url?eid=2-s2.0-84871544429&partnerID=MN8TOARS.
    10.1021/ci300321f
  115. González-Díaz, H.; Munteanu, C.R.; Postelnicu, L.; Prado-Prado, F.; Gestal, M.; Pazos, A.. "LIBP-Pred: Web server for lipid binding proteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites and bacteria". Molecular BioSystems 8 3 (2012): 851-862. http://www.scopus.com/inward/record.url?eid=2-s2.0-84857196333&partnerID=MN8TOARS.
    10.1039/c2mb05432a
  116. Aliuska Duardo-Sanchez; Grace Patlewicz; Humberto Gonzalez-Diaz. "Network Topological Indices from Chem-Bioinformatics to Legal Sciences and back". Current Bioinformatics 6 1 (2011): 53-70. https://doi.org/10.2174%2F157489311795222347.
    10.2174/157489311795222347
  117. Humberto Gonzalez-Diaz. "Editorial[Hot Topic:Applications of Topological Indices and Complex Networks in Bioinformatics(Guest Editor: Humberto Gonzalez-Diaz)]". Current Bioinformatics 6 1 (2011): 1-2. https://doi.org/10.2174%2F157489311795222356.
    10.2174/157489311795222356
  118. Prado-Prado, F.J.; García, I.; García-Mera, X.; González-Díaz, H.. "Entropy multi-target QSAR model for prediction of antiviral drug complex networks". Chemometrics and Intelligent Laboratory Systems 107 2 (2011): 227-233. http://www.scopus.com/inward/record.url?eid=2-s2.0-79959772611&partnerID=MN8TOARS.
    10.1016/j.chemolab.2011.02.003
  119. González-Díaz, H.; Prado-Prado, F.; García-Mera, X.; Alonso, N.; Abeijón, P.; Caamaño, O.; Yáñez, M.; et al. "MIND-BEST: Web server for drugs and target discovery; Design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from trichomonas gallinae". Journal of Proteome Research 10 4 (2011): 1698-1718. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953716848&partnerID=MN8TOARS.
    10.1021/pr101009e
  120. Pablo Riera-Fernandez; Cristian R. Munteanu; Julian Dorado; Raquel Martin-Romalde; Aliuska Duardo-Sanchez; Humberto Gonzalez-Diaz. "From Chemical Graphs in Computer-Aided Drug Design to General Markov-Galvez Indices of Drug-Target, Proteome, Drug-Parasitic Disease, Technological, and Social-Legal Networks". Current Computer Aided-Drug Design 7 4 (2011): 315-337. https://doi.org/10.2174%2F157340911798260340.
    10.2174/157340911798260340
  121. García, I.; Fall, Y.; Gómez, G.; González-Díaz, H.. "First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines". Molecular Diversity 15 2 (2011): 561-567. http://www.scopus.com/inward/record.url?eid=2-s2.0-80051566363&partnerID=MN8TOARS.
    10.1007/s11030-010-9280-3
  122. González-Díaz, H.; Prado-Prado, F.; Sobarzo-Sánchez, E.; Haddad, M.; Maurel Chevalley, S.; Valentin, A.; Quetin-Leclercq, J.; et al. "NL MIND-BEST: A web server for ligands and proteins discovery-Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum". Journal of Theoretical Biology 276 1 (2011): 229-249. http://www.scopus.com/inward/record.url?eid=2-s2.0-79952327303&partnerID=MN8TOARS.
    10.1016/j.jtbi.2011.01.010
  123. Riccardo Concu; Gianni Podda; Humberto Gonzalez-Diaz; Bairong Shen. "Review of Computer-Aided Models for Predicting Collagen Stability". Current Computer Aided-Drug Design 7 4 (2011): 287-303. https://doi.org/10.2174%2F157340911798260269.
    10.2174/157340911798260269
  124. Duardo-Sanchez, A.; Patlewicz, G.; González-Díaz, H.. "Network Topological Indices from Chem-Bioinformatics to legal sciences and back". Current Bioinformatics 6 1 (2011): 53-70. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953845618&partnerID=MN8TOARS.
  125. Riera-Fernández, P.; Munteanu, C.R.; Dorado, J.; Martín-Romalde, R.; Duardo-Sanchez, A.; González-Díaz, H.. "From chemical graphs in computer-aided drug design to general Markov-Galvez indices of drug-target, proteome, drug-parasitic disease, technological, and social-legal networks". Current Computer-Aided Drug Design 7 4 (2011): 315-337. http://www.scopus.com/inward/record.url?eid=2-s2.0-82955246111&partnerID=MN8TOARS.
  126. Concu, R.; Podda, G.; Gonzalez-Diaz, H.; Shen, B.. "Review of computer-aided models for predicting collagen stability". Current Computer-Aided Drug Design 7 4 (2011): 287-303. http://www.scopus.com/inward/record.url?eid=2-s2.0-82955193113&partnerID=MN8TOARS.
  127. González-Díaz, H.. "QSPR models for computer-aided drug design in microbiology, parasitology, and pharmacology". Current Computer-Aided Drug Design 7 4 (2011): 228-230. http://www.scopus.com/inward/record.url?eid=2-s2.0-82955193158&partnerID=MN8TOARS.
  128. González-Díaz, H.. "Applications of topological indices and complex networks in bioinformatics". Current Bioinformatics 6 1 (2011): 1-2. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953866499&partnerID=MN8TOARS.
  129. Riera-Fernández, P.; Munteanu, C.R.; Pedreira-Souto, N.; Martín-Romalde, R.; Duardo-Sanchez, A.; González-Díaz, H.. "Definition of markov-harary invariants and review of classic topological indices and databases in biology, parasitology, technology, and social-legal networks". Current Bioinformatics 6 1 (2011): 94-121. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953895047&partnerID=MN8TOARS.
  130. Humberto Gonzalez-Diaz. "Editorial {Hot topic: QSPR Models for Computer-Aided Drug Design in Microbiology, Parasitology, and Pharmacology (Guest Editor: Humberto Gonzalez-Diaz)]". Current Computer Aided-Drug Design 7 4 (2011): 228-230. https://doi.org/10.2174%2F157340911798260278.
    10.2174/157340911798260278
  131. González-Díaz, H.; Muíño, L.; Anadón, A.M.; Romaris, F.; Prado-Prado, F.J.; Munteanu, C.R.; Dorado, J.; et al. "MISS-Prot: Web server for self/non-self discrimination of protein residue networks in parasites; Theory and experiments in Fasciola peptides and Anisakis allergens". Molecular BioSystems 7 6 (2011): 1938-1955. http://www.scopus.com/inward/record.url?eid=2-s2.0-79956155361&partnerID=MN8TOARS.
    10.1039/c1mb05069a
  132. Prado-Prado, F.; García-Mera, X.; Escobar, M.; Sobarzo-Sánchez, E.; Yañez, M.; Riera-Fernandez, P.; González-Díaz, H.. "2D MI-DRAGON: A new predictor for protein-ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins". European Journal of Medicinal Chemistry 46 12 (2011): 5838-5851. http://www.scopus.com/inward/record.url?eid=2-s2.0-80955126021&partnerID=MN8TOARS.
    10.1016/j.ejmech.2011.09.045
  133. Marzaro, G.; Chilin, A.; Guiotto, A.; Uriarte, E.; Brun, P.; Castagliuolo, I.; Tonus, F.; González-Díaz, H.. "Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors". European Journal of Medicinal Chemistry 46 6 (2011): 2185-2192. http://www.scopus.com/inward/record.url?eid=2-s2.0-79955637731&partnerID=MN8TOARS.
    10.1016/j.ejmech.2011.02.072
  134. Prado-Prado, F.; García-Mera, X.; Abeijón, P.; Alonso, N.; Caamaño, O.; Yáñez, M.; Gárate, T.; et al. "Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica". European Journal of Medicinal Chemistry 46 4 (2011): 1074-1094. http://www.scopus.com/inward/record.url?eid=2-s2.0-79952282850&partnerID=MN8TOARS.
    10.1016/j.ejmech.2011.01.023
  135. Prado-Prado, F.J.; García-Mera, X.; González-Díaz, H.. "Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species". Bioorganic and Medicinal Chemistry 18 6 (2010): 2225-2231. http://www.scopus.com/inward/record.url?eid=2-s2.0-77649235082&partnerID=MN8TOARS.
    10.1016/j.bmc.2010.01.068
  136. Rodriguez-Soca, Y.; Munteanu, C.R.; Dorado, J.; Pazos, A.; Prado-Prado, F.J.; González-Díaz, H.. "Trypano-PPI: A web server for prediction of unique targets in trypanosome proteome by using electrostatic parameters of protein-protein interactions". Journal of Proteome Research 9 2 (2010): 1182-1190. http://www.scopus.com/inward/record.url?eid=2-s2.0-76149112596&partnerID=MN8TOARS.
    10.1021/pr900827b
  137. González-Díaz, H.; Romaris, F.; Duardo-Sanchez, A.; Pérez-Montoto, L.G.; Prado-Prado, F.; Patlewicz, G.; Ubeira, F.M.. "Predicting drugs and proteins in parasite infections with topological indices of complex networks: Theoretical backgrounds, applications and legal issues". Current Pharmaceutical Design 16 24 (2010): 2737-2764. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957956659&partnerID=MN8TOARS.
    10.2174/138161210792389234
  138. González-Díaz, H.; Dea-Ayuela, M.A.; Pérez-Montoto, L.G.; Prado-Prado, F.J.; Agüero-Chapín, G.; Bolas-Fernández, F.; Vazquez-Padrón, R.I.; Ubeira, F.M.. "QSAR for RNases and theoretic-experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein". Molecular Diversity 14 2 (2010): 349-369. https://www.scopus.com/inward/record.uri?eid=2-s2.0-77954669004&partnerID=40&md5=616b1f52da7e334d44ee2e40b24af5f9.
    10.1007/s11030-009-9178-0
  139. Concu, R.; Podda, G.; Ubeira, F.M.; González-Díaz, H.. "Review of QSAR models for Enzyme classes of drug targets: Theoretical background and applications in parasites, hosts and other organisms". Current Pharmaceutical Design 16 24 (2010): 2710-2723. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957961031&partnerID=MN8TOARS.
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  140. Anadón, A.M.; Rodríguez, E.; Gárate, M.T.; Cuéllar, C.; Romarís, F.; Chivato, T.; Rodero, M.; González-Díaz, H.; Ubeira, F.M.. "Diagnosing human anisakiasis: Recombinant Ani s 1 and Ani s 7 allergens versus the UniCAP 100 fluorescence enzyme immunoassay". Clinical and Vaccine Immunology 17 4 (2010): 496-502. http://www.scopus.com/inward/record.url?eid=2-s2.0-77950681783&partnerID=MN8TOARS.
    10.1128/CVI.00443-09
  141. González-Díaz, H.. "QSAR and complex networks in pharmaceutical design, microbiology, parasitology, toxicology, cancer and neurosciences". Current Pharmaceutical Design 16 24 (2010): 2598-2600. http://www.scopus.com/inward/record.url?eid=2-s2.0-77957949263&partnerID=MN8TOARS.
    10.2174/138161210792389261
  142. Prado-Prado, F.J.; Ubeira, F.M.; Borges, F.; González-DÍAZ, H.. "Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks". Journal of Computational Chemistry 31 1 (2010): 164-173. http://www.scopus.com/inward/record.url?eid=2-s2.0-72449159729&partnerID=MN8TOARS.
    10.1002/jcc.21292
  143. González-Díaz, H.; Duardo-Sanchez, A.; Ubeira, F.M.; Prado-Prado, F.; Pérez-Montoto, L.G.; Concu, R.; Podda, G.; Shen, B.. "Review of MARCH-INSIDE & complex networks prediction of drugs: ADMET, anti-parasite activity, metabolizing enzymes and cardiotoxicity proteome biomarkers". Current Drug Metabolism 11 4 (2010): 379-406. http://www.scopus.com/inward/record.url?eid=2-s2.0-77953301845&partnerID=MN8TOARS.
    10.2174/138920010791514225
  144. Rodriguez-Soca, Y.; Munteanu, C.R.; Dorado, J.; Rabuñal, J.; Pazos, A.; González-Díaz, H.. "Plasmod-PPI: A web-server predicting complex biopolymer targets in plasmodium with entropy measures of protein-protein interactions". Polymer 51 1 (2010): 264-273. http://www.scopus.com/inward/record.url?eid=2-s2.0-72249103200&partnerID=MN8TOARS.
    10.1016/j.polymer.2009.11.029
  145. González-Díaz, H.. "Current Drug Metabolism: Editorial". Current Drug Metabolism 11 4 (2010): 283-284. http://www.scopus.com/inward/record.url?eid=2-s2.0-77953304189&partnerID=MN8TOARS.
    10.2174/138920010791514162
  146. Prado-Prado, F.J.; Borges, F.; Uriarte, E.; Peréz-Montoto, L.G.; González-Díaz, H.. "Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species". Analytica Chimica Acta 651 2 (2009): 159-164. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349274100&partnerID=MN8TOARS.
    10.1016/j.aca.2009.08.022
  147. Vilar, S.; González-Díaz, H.; Santana, L.; Uriarte, E.. "A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer". Journal of Theoretical Biology 261 3 (2009): 449-458. http://www.scopus.com/inward/record.url?eid=2-s2.0-70350187090&partnerID=MN8TOARS.
    10.1016/j.jtbi.2009.07.031
  148. Munteanu, C.R.; Magalhães, A.L.; Uriarte, E.; González-Díaz, H.. "Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices". Journal of Theoretical Biology 257 2 (2009): 303-311. http://www.scopus.com/inward/record.url?eid=2-s2.0-60749111710&partnerID=MN8TOARS.
    10.1016/j.jtbi.2008.11.017
  149. Pérez-Montoto, L.G.; Prado-Prado, F.; Ubeira, F.M.; González-Díaz, H.. "Study of parasitic infections, cancer, and other diseases with mass-spectrometry and quantitative proteome-disease relationships". Current Proteomics 6 4 (2009): 246-261. http://www.scopus.com/inward/record.url?eid=2-s2.0-72449171166&partnerID=MN8TOARS.
    10.2174/157016409789973761
  150. Viña, D.; Uriarte, E.; Orallo, F.; González-Díaz, H.. "Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors". Molecular Pharmaceutics 6 3 (2009): 825-835. http://www.scopus.com/inward/record.url?eid=2-s2.0-67249095008&partnerID=MN8TOARS.
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  151. Concu, R.; Dea-Ayuela, M.A.; Perez-Montoto, L.G.; Prado-Prado, F.J.; Uriarte, E.; Bolás-Fernández, F.; Podda, G.; et al. "3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites". Biochimica et Biophysica Acta - Proteins and Proteomics 1794 12 (2009): 1784-1794. http://www.scopus.com/inward/record.url?eid=2-s2.0-72449156778&partnerID=MN8TOARS.
    10.1016/j.bbapap.2009.08.020
  152. González-Díaz, H.; Pérez-Montoto, L.G.; Duardo-Sanchez, A.; Paniagua, E.; Vázquez-Prieto, S.; Vilas, R.; Dea-Ayuela, M.A.; et al. "Generalized lattice graphs for 2D-visualization of biological information". Journal of Theoretical Biology 261 1 (2009): 136-147. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349609443&partnerID=MN8TOARS.
    10.1016/j.jtbi.2009.07.029
  153. Concu, R.; Dea-Ayuela, M.A.; Perez-Montoto, L.G.; Bolas-Fernández, F.; Prado-Prado, F.J.; Podda, G.; Uriarte, E.; Ubeira, F.M.; González-Díaz, H.. "Prediction of enzyme classes from 3D structure: A general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins". Journal of Proteome Research 8 9 (2009): 4372-4382. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349895744&partnerID=MN8TOARS.
    10.1021/pr9003163
  154. García, I.; Munteanu, C.R.; Fall, Y.; Gómez, G.; Uriarte, E.; González-Díaz, H.. "QSAR and complex network study of the chiral HMGR inhibitor structural diversity". Bioorganic and Medicinal Chemistry 17 1 (2009): 165-175. http://www.scopus.com/inward/record.url?eid=2-s2.0-57749180853&partnerID=MN8TOARS.
    10.1016/j.bmc.2008.11.007
  155. Prado-Prado, F.J.; Uriarte, E.; Borges, F.; González-Díaz, H.. "Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs". European Journal of Medicinal Chemistry 44 11 (2009): 4516-4521. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349766733&partnerID=MN8TOARS.
    10.1016/j.ejmech.2009.06.018
  156. Pérez-Montoto, L.G.; Santana, L.; González-Díaz, H.. "Scoring function for DNA-drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories". European Journal of Medicinal Chemistry 44 11 (2009): 4461-4469. http://www.scopus.com/inward/record.url?eid=2-s2.0-70349767974&partnerID=MN8TOARS.
    10.1016/j.ejmech.2009.06.011
  157. Munteanu, C.R.; Vázquez, J.M.; Dorado, J.; Sierra, A.P.; Sánchez-González, Á.; Prado-Prado, F.J.; González-Díaz, H.. "Complex network spectral moments for ATCUN motif DNA cleavage: First predictive study on proteins of human pathogen parasites". Journal of Proteome Research 8 11 (2009): 5219-5228. http://www.scopus.com/inward/record.url?eid=2-s2.0-70449513218&partnerID=MN8TOARS.
    10.1021/pr900556g
  158. Prado-Prado, F.J.; de la Vega, O.M.; Uriarte, E.; Ubeira, F.M.; Chou, K.-C.; González-Díaz, H.. "Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks". Bioorganic and Medicinal Chemistry 17 2 (2009): 569-575. http://www.scopus.com/inward/record.url?eid=2-s2.0-58749107670&partnerID=MN8TOARS.
    10.1016/j.bmc.2008.11.075
  159. Agüero-Chapin, G.; Varona-Santos, J.; De La Riva, G.A.; Antunes, A.; González-Villa, T.; Uriarte, E.; González-Díaz, H.. "Alignment-free prediction of polygalacturonases with pseudofolding topological indices: Experimental isolation from coffea arabica and prediction of a new sequence". Journal of Proteome Research 8 4 (2009): 2122-2128. https://www.scopus.com/inward/record.uri?eid=2-s2.0-65249098338&partnerID=40&md5=430d4ca03be581cec0d9047926e4df05.
    10.1021/pr800867y
  160. González-Díaz, H.. "Current Proteomics: Editorial". Current Proteomics 6 4 (2009): http://www.scopus.com/inward/record.url?eid=2-s2.0-72449206116&partnerID=MN8TOARS.
    10.2174/157016409789973716
  161. Perez-Bello, A.; Munteanu, C.R.; Ubeira, F.M.; Lopes De Magalhães, A.; Uriarte, E.; González-Díaz, H.. "Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices". Journal of Theoretical Biology 256 3 (2009): 458-466. https://www.scopus.com/inward/record.uri?eid=2-s2.0-58149187912&partnerID=40&md5=9303a5818f78c78fc0d2d5161eadc147.
    10.1016/j.jtbi.2008.09.035
  162. González-Díaz, H.; Prado-Prado, F.; Pérez-Montoto, L.G.; Duardo-Sánchez, A.; López-Díaz, A.. "QSAR models for proteins of parasitic organisms, plants and human guests: Theory, applications, legal protection, taxes, and regulatory issues". Current Proteomics 6 4 (2009): 214-227. http://www.scopus.com/inward/record.url?eid=2-s2.0-72449158079&partnerID=MN8TOARS.
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  163. Pérez-Montoto, L.G.; Dea-Ayuela, M.A.; Prado-Prado, F.J.; Bolas-Fernández, F.; Ubeira, F.M.; González-Díaz, H.. "Study of peptide fingerprints of parasite proteins and drug-DNA interactions with Markov-Mean-Energy invariants of biopolymer molecular-dynamic lattice networks". Polymer 50 15 (2009): 3857-3870. http://www.scopus.com/inward/record.url?eid=2-s2.0-67650033161&partnerID=MN8TOARS.
    10.1016/j.polymer.2009.05.055
  164. Prado-Prado, F.J.; Borges, F.; Perez-Montoto, L.G.; González-Díaz, H.. "Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species". European Journal of Medicinal Chemistry 44 10 (2009): 4051-4056. http://www.scopus.com/inward/record.url?eid=2-s2.0-67651155783&partnerID=MN8TOARS.
    10.1016/j.ejmech.2009.04.040
  165. Concu, R.; Podda, G.; Uriarte, E.; González-Díaz, H.. "Computational chemistry study of 3D-structure-function relationships for enzymes based on markov models for protein electrostatic, HINT, and van der waals potentials". Journal of Computational Chemistry 30 9 (2009): 1510-1520. http://www.scopus.com/inward/record.url?eid=2-s2.0-67650113056&partnerID=MN8TOARS.
    10.1002/jcc.21170
  166. Cruz-Monteagudo M; Munteanu CR; Borges F; Cordeiro MN; Uriarte E; González-Díaz H. "Quantitative Proteome-Property Relationships (QPPRs). Part 1: finding biomarkers of organic drugs with mean Markov connectivity indices of spiral networks of blood mass spectra.". Bioorganic & medicinal chemistry (2008): http://europepmc.org/abstract/med/18951807.
    10.1016/j.bmc.2008.10.004
  167. Cruz-Monteagudo, M.; Munteanu, C.R.; Borges, F.; Cordeiro, M.N.D.S.; Uriarte, E.; Chou, K.-C.; González-Díaz, H.. "Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case". Polymer 49 25 (2008): 5575-5587. https://www.scopus.com/inward/record.uri?eid=2-s2.0-56149097042&partnerID=40&md5=5ad680dbc834353e0d65824694583672.
    10.1016/j.polymer.2008.09.070
  168. Dea-Ayuela, M.A.; Pérez-Castillo, Y.; Meneses-Marcel, A.; Ubeira, F.M.; Bolas-Fernández, F.; Chou, K.-C.; González-Díaz, H.. "HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence". Bioorganic and Medicinal Chemistry 16 16 (2008): 7770-7776. https://www.scopus.com/inward/record.uri?eid=2-s2.0-49149091399&partnerID=40&md5=1d5ebb3831d50eac90384884d39e4bc7.
    10.1016/j.bmc.2008.07.023
  169. Santana, L.; González-Díaz, H.; Quezada, E.; Uriarte, E.; Yáñez, M.; Viña, D.; Orallo, F.. "Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors". Journal of Medicinal Chemistry 51 21 (2008): 6740-6751. http://www.scopus.com/inward/record.url?eid=2-s2.0-56249083925&partnerID=MN8TOARS.
    10.1021/jm800656v
  170. Agüero-Chapín, G.; Antunes, A.; Ubeira, F.M.; Chou, K.-C.; González-Díaz, H.. "Comparative study of topological indices of macro/supramolecular RNA complex networks". Journal of Chemical Information and Modeling 48 11 (2008): 2265-2277. https://www.scopus.com/inward/record.uri?eid=2-s2.0-57549103611&partnerID=40&md5=18c7f0ef653bce9a3a919f21c0a3fb00.
    10.1021/ci8001809
  171. González-Díaz, H.. "Editorial". Current Topics in Medicinal Chemistry 8 18 (2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-60349130703&partnerID=MN8TOARS.
    10.2174/156802608786786615
  172. González-Díaz, H.; Prado-Prado, F.; Ubeira, F.M.. "Predicting antimicrobial drugs and targets with the MARCH-INSIDE approach". Current Topics in Medicinal Chemistry 8 18 (2008): 1676-1690. http://www.scopus.com/inward/record.url?eid=2-s2.0-59149084486&partnerID=MN8TOARS.
    10.2174/156802608786786543
  173. Munteanu, C.R.; González-Díaz, H.; Borges, F.; de Magalhães, A.L.. "Natural/random protein classification models based on star network topological indices". Journal of Theoretical Biology 254 4 (2008): 775-783. http://www.scopus.com/inward/record.url?eid=2-s2.0-52149090972&partnerID=MN8TOARS.
    10.1016/j.jtbi.2008.07.018
  174. Molina, E.; Estrada, E.; Nodarse, D.; Torres, L.A.; González, H.; Uriarte, E.. "Quantitative structure-antibacterial activity relationship modeling using a combination of piecewise linear regression-discriminant analysis (I): Quantum chemical, topographic, and topological descriptors". International Journal of Quantum Chemistry 108 10 (2008): 1856-1871. https://www.scopus.com/inward/record.uri?eid=2-s2.0-45749127483&partnerID=40&md5=542051e1290ec3ab15890ce275fe3a2a.
    10.1002/qua.21702
  175. Cruz-Monteagudo, M.; González-Díaz, H.; Borges, F.; Dominguez, E.R.; Cordeiro, M.N.D.S.. "3D-MEDNEs: An alternative "in silico" technique for chemical research in toxicology. 2. Quantitative proteome-toxicity relationships (QPTR) based on mass spectrum spiral entropy". Chemical Research in Toxicology 21 3 (2008): 619-632. https://www.scopus.com/inward/record.uri?eid=2-s2.0-41849087712&partnerID=40&md5=510ebf0e8e9a858f7ad1fbffd6e81e33.
    10.1021/tx700296t
  176. Agüero-Chapín, G.; González-Díaz, H.; De La Riva, G.; Rodríguez, E.; Sánchez-Rodríguez, A.; Podda, G.; Vazquez-Padrón, R.I.. "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". Journal of Chemical Information and Modeling 48 2 (2008): 434-448. https://www.scopus.com/inward/record.uri?eid=2-s2.0-41549153907&partnerID=40&md5=2d272c166a3701485faae9f88ab0eba2.
    10.1021/ci7003225
  177. Vilar, S.; González-Díaz, H.; Santana, L.; Uriarte, E.. "QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks". Journal of Computational Chemistry 29 16 (2008): 2613-2622. http://www.scopus.com/inward/record.url?eid=2-s2.0-57049145806&partnerID=MN8TOARS.
    10.1002/jcc.21016
  178. Munteanu, C.R.; González-Díaz, H.; Magalhães, A.L.. "Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices". Journal of Theoretical Biology 254 2 (2008): 476-482. http://www.scopus.com/inward/record.url?eid=2-s2.0-50149119645&partnerID=MN8TOARS.
    10.1016/j.jtbi.2008.06.003
  179. González-Díaz, H.; Cabrera-Pérez, M.A.; Agüero-Chapín, G.; Cruz-Monteagudo, M.; Castañeda-Cancio, N.; del Río, M.A.; Uriarte, E.. "Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues". Chemometrics and Intelligent Laboratory Systems 94 2 (2008): 160-165. http://www.scopus.com/inward/record.url?eid=2-s2.0-53349164135&partnerID=MN8TOARS.
    10.1016/j.chemolab.2008.07.006
  180. González-Díaz, H.. "Quantitative studies on Structure-Activity and Structure-Property Relationships (QSAR/QSPR).". Current topics in medicinal chemistry 8 18 (2008): http://www.scopus.com/inward/record.url?eid=2-s2.0-59149092642&partnerID=MN8TOARS.
  181. González-Díaz, H.; Prado-Prado, F.J.. "Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals". Journal of Computational Chemistry 29 4 (2008): 656-667. http://www.scopus.com/inward/record.url?eid=2-s2.0-39049100511&partnerID=MN8TOARS.
    10.1002/jcc.20826
  182. Ferino, G.; González-Díaz, H.; Delogu, G.; Podda, G.; Uriarte, E.. "Using spectral moments of spiral networks based on PSA/mass spectra outcomes to derive quantitative proteome-disease relationships (QPDRs) and predicting prostate cancer". Biochemical and Biophysical Research Communications 372 2 (2008): 320-325. http://www.scopus.com/inward/record.url?eid=2-s2.0-44649104406&partnerID=MN8TOARS.
    10.1016/j.bbrc.2008.05.071
  183. González-Díaz, H.; González-Díaz, Y.; Santana, L.; Ubeira, F.M.; Uriarte, E.. "Proteomics, networks and connectivity indices". Proteomics 8 4 (2008): 750-778. http://www.scopus.com/inward/record.url?eid=2-s2.0-40549136471&partnerID=MN8TOARS.
    10.1002/pmic.200700638
  184. Prado-Prado, F.J.; González-Díaz, H.; de la Vega, O.M.; Ubeira, F.M.; Chou, K.-C.. "Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for Input-Coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds". Bioorganic and Medicinal Chemistry 16 11 (2008): 5871-5880. http://www.scopus.com/inward/record.url?eid=2-s2.0-44449088493&partnerID=MN8TOARS.
    10.1016/j.bmc.2008.04.068
  185. González-Díaz, H.; Agüero-Chapin, G.; Varona, J.; Molina, R.; Delogu, G.; Santana, L.; Uriarte, E.; Podda, G.. "2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function". Journal of Computational Chemistry 28 6 (2007): 1049-1056. http://www.scopus.com/inward/record.url?eid=2-s2.0-33947725480&partnerID=MN8TOARS.
    10.1002/jcc.20576
  186. Cruz-Monteagudo, M.; González-Díaz, H.; Agüero-CHAPÍN, G.; Santana, L.; Borges, F.; Domínguez, E.R.; Podda, G.; Uriarte, E.. "Computational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems". Journal of Computational Chemistry 28 11 (2007): 1909-1923. http://www.scopus.com/inward/record.url?eid=2-s2.0-34547364589&partnerID=MN8TOARS.
    10.1002/jcc.20730
  187. González-Díaz, H.; Bonet, I.; Terán, C.; De Clercq, E.; Bello, R.; García, M.M.; Santana, L.; Uriarte, E.. "ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds". European Journal of Medicinal Chemistry 42 5 (2007): 580-585. https://www.scopus.com/inward/record.uri?eid=2-s2.0-34248201649&partnerID=40&md5=7a067855412b008de386ffaf8ffb8071.
    10.1016/j.ejmech.2006.11.016
  188. González-Díaz, H.; Olazábal, E.; Santana, L.; Uriarte, E.; González-Díaz, Y.; Castañedo, N.. "QSAR study of anticoccidial activity for diverse chemical compounds: Prediction and experimental assay of trans-2-(2-nitrovinyl)furan". Bioorganic and Medicinal Chemistry 15 2 (2007): 962-968. https://www.scopus.com/inward/record.uri?eid=2-s2.0-33845283571&partnerID=40&md5=005ea335e744b9b160acd80e139cfb31.
    10.1016/j.bmc.2006.10.032
  189. González-Díaz, H.; Vilar, S.; Santana, L.; Podda, G.; Uriarte, E.. "On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: Embryo and stem cells". Bioorganic and Medicinal Chemistry 15 7 (2007): 2544-2550. http://www.scopus.com/inward/record.url?eid=2-s2.0-33847675464&partnerID=MN8TOARS.
    10.1016/j.bmc.2007.01.050
  190. González-Díaz, H.; Vilar, S.; Santana, L.; Uriarte, E.. "Medicinal chemistry and bioinformatics - Current trends in drugs discovery with networks topological indices". Current Topics in Medicinal Chemistry 7 10 (2007): 1015-1029. http://www.scopus.com/inward/record.url?eid=2-s2.0-34447254270&partnerID=MN8TOARS.
    10.2174/156802607780906771
  191. Prado-Prado, F.J.; González-Díaz, H.; Santana, L.; Uriarte, E.. "Unified QSAR approach to antimicrobials. Part 2: Predicting activity against more than 90 different species in order to halt antibacterial resistance". Bioorganic and Medicinal Chemistry 15 2 (2007): 897-902. http://www.scopus.com/inward/record.url?eid=2-s2.0-33845316136&partnerID=MN8TOARS.
    10.1016/j.bmc.2006.10.039
  192. González-Díaz, H.; Pérez-Castillo, Y.; Podda, G.; Uriarte, E.. "Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices". Journal of Computational Chemistry 28 12 (2007): 1990-1995. http://www.scopus.com/inward/record.url?eid=2-s2.0-34547347534&partnerID=MN8TOARS.
    10.1002/jcc.20700
  193. González-Díaz, H.; Pérez-Bello, A.; Cruz-Monteagudo, M.; González-Díaz, Y.; Santana, L.; Uriarte, E.. "Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies". Chemometrics and Intelligent Laboratory Systems 85 1 (2007): 20-26. http://www.scopus.com/inward/record.url?eid=2-s2.0-33845662803&partnerID=MN8TOARS.
    10.1016/j.chemolab.2006.03.005
  194. González-Díaz, H.; Saíz-Urra, L.; Molina, R.; González-Díaz, Y.; Sánchez-González, A.. "Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments". Journal of Computational Chemistry 28 6 (2007): 1042-1048. http://www.scopus.com/inward/record.url?eid=2-s2.0-33947722304&partnerID=MN8TOARS.
    10.1002/jcc.20649
  195. González-Díaz, H.; Saiz-Urra, L.; Molina, R.; Santana, L.; Uriarte, E.. "A model for the recognition of protein kinases based on the entropy of 3D van der waals interactions". Journal of Proteome Research 6 2 (2007): 904-908. http://www.scopus.com/inward/record.url?eid=2-s2.0-33847420914&partnerID=MN8TOARS.
    10.1021/pr060493s
  196. González-Díaz, H.; Prado-Prado, F.J.; Santana, L.; Uriarte, E.. "Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species". Bioorganic and Medicinal Chemistry 14 17 (2006): 5973-5980. http://www.scopus.com/inward/record.url?eid=2-s2.0-33746075173&partnerID=MN8TOARS.
    10.1016/j.bmc.2006.05.018
  197. González-Díaz, H.; Pérez-Bello, A.; Uriarte, E.; González-Díaz, Y.. "QSAR study for mycobacterial promoters with low sequence homology". Bioorganic and Medicinal Chemistry Letters 16 3 (2006): 547-553. http://www.scopus.com/inward/record.url?eid=2-s2.0-29544451730&partnerID=MN8TOARS.
    10.1016/j.bmcl.2005.10.057
  198. Cruz-Monteagudo, M.; González-Díaz, H.; Borges, F.; González-Díaz, Y.. "Simple stochastic fingerprints towards mathematical modeling in biology and medicine. 3. Ocular irritability classification model". Bulletin of Mathematical Biology 68 7 (2006): 1555-1572. https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748691386&partnerID=40&md5=897409d92479b924ddaa3b974b5c553e.
    10.1007/s11538-006-9083-y
  199. González-Díaz, H.; Viña, D.; Santana, L.; De Clercq, E.; Uriarte, E.. "Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis, and in vitro assay of new purine carbanucleosides". Bioorganic and Medicinal Chemistry 14 4 (2006): 1095-1107. http://www.scopus.com/inward/record.url?eid=2-s2.0-30344455624&partnerID=MN8TOARS.
    10.1016/j.bmc.2005.09.039
  200. Cruz-Monteagudo, M.; González-Díaz, H.; Uriarte, E.. "Simple stochastic fingerprints towards mathematical modeling in biology and medicine 2. Unifying Markov model for drugs side effects". Bulletin of Mathematical Biology 68 7 (2006): 1527-1554. https://www.scopus.com/inward/record.uri?eid=2-s2.0-33748705541&partnerID=40&md5=a22b893a5f72877b9767df93747e006f.
    10.1007/s11538-005-9013-4
  201. Agüero-Chapin, G.; González-Díaz, H.; Molina, R.; Varona-Santos, J.; Uriarte, E.; González-Díaz, Y.. "Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence from Psidium guajava L.". FEBS Letters 580 3 (2006): 723-730. http://www.scopus.com/inward/record.url?eid=2-s2.0-31444455638&partnerID=MN8TOARS.
    10.1016/j.febslet.2005.12.072
  202. Santana, L.; Uriarte, E.; González-Díaz, H.; Zagotto, G.; Soto-Otero, R.; Méndez-Álvarez, E.. "A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins". Journal of Medicinal Chemistry 49 3 (2006): 1149-1156. https://www.scopus.com/inward/record.uri?eid=2-s2.0-32344446616&partnerID=40&md5=72227d24a11c5693247326e9184e5a32.
    10.1021/jm0509849
  203. González-Díaz, H.; Sánchez-González, A.; González-Díaz, Y.. "3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif". Journal of Inorganic Biochemistry 100 7 (2006): 1290-1297. http://www.scopus.com/inward/record.url?eid=2-s2.0-33746837692&partnerID=MN8TOARS.
    10.1016/j.jinorgbio.2006.02.019
  204. González-Díaz, H.; Torres-Gómez, L.A.; Guevara, Y.; Almeida, M.S.; Molina, R.; Castañedo, N.; Santana, L.; Uriarte, E.. "Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design III: 2.5D indices for the discovery of antibacterials". Journal of Molecular Modeling 11 2 (2005): 116-123. http://www.scopus.com/inward/record.url?eid=2-s2.0-25844496945&partnerID=MN8TOARS.
    10.1007/s00894-004-0228-3
  205. González-Díaz, H.; Molina, R.; Uriarte, E.. "Recognition of stable protein mutants with 3D stochastic average electrostatic potentials". FEBS Letters 579 20 (2005): 4297-4301. http://www.scopus.com/inward/record.url?eid=2-s2.0-23644443075&partnerID=MN8TOARS.
    10.1016/j.febslet.2005.06.065
  206. Gia, O.; Marciani Magno, S.; Gonzalez-Diaz, H.; Quezada, E.; Santana, L.; Uriarte, E.; Dalla Via, L.. "Design, synthesis and photobiological properties of 3,4- cyclopentenepsoralens". Bioorganic and Medicinal Chemistry 13 3 (2005): 809-817. http://www.scopus.com/inward/record.url?eid=2-s2.0-11844285631&partnerID=MN8TOARS.
    10.1016/j.bmc.2004.10.044
  207. Saíz-Urra, L.; González-Díaz, H.; Uriarte, E.. "Proteins Markovian 3D-QSAR with spherically-truncated average electrostatic potentials". Bioorganic and Medicinal Chemistry 13 11 (2005): 3641-3647. http://www.scopus.com/inward/record.url?eid=2-s2.0-18144386946&partnerID=MN8TOARS.
    10.1016/j.bmc.2005.03.041
  208. González-Díaz, H.; Agüero, G.; Cabrera, M.A.; Molina, R.; Santana, L.; Uriarte, E.; Delogu, G.; Castañedo, N.. "Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species:: Distribution of the antimicrobial G1 on rat tissues". Bioorganic and Medicinal Chemistry Letters 15 3 (2005): 551-557. https://www.scopus.com/inward/record.uri?eid=2-s2.0-12444269951&partnerID=40&md5=a7d9b48ce3b61e6743d2781d6a65376d.
    10.1016/j.bmcl.2004.11.059
  209. Ramos De Armas, R.; González Díaz, H.; Molina, R.; Uriarte, E.. "Stochastic-based descriptors studying biopolymers biological properties: Extended MARCH-INSIDE methodology describing antibacterial activity of lactoferricin derivatives". Biopolymers 77 5 (2005): 247-256. http://www.scopus.com/inward/record.url?eid=2-s2.0-17444377548&partnerID=MN8TOARS.
    10.1002/bip.20202
  210. González-Díaz, H.; Tenorio, E.; Castañedo, N.; Santana, L.; Uriarte, E.. "3D QSAR Markov model for drug-induced eosinophilia - Theoretical prediction and preliminary experimental assay of the antimicrobial drug G1". Bioorganic and Medicinal Chemistry 13 5 (2005): 1523-1530. http://www.scopus.com/inward/record.url?eid=2-s2.0-13444271897&partnerID=MN8TOARS.
    10.1016/j.bmc.2004.12.028
  211. González-Díaz, H.; Uriarte, E.. "Biopolymer stochastic moments. I. Modeling human rhinovirus cellular recognition with protein surface electrostatic moments". Biopolymers 77 5 (2005): 296-303. http://www.scopus.com/inward/record.url?eid=2-s2.0-17444397734&partnerID=MN8TOARS.
    10.1002/bip.20234
  212. González-Díaz, H.; Saíz-Urra, L.; Molina, R.; Uriarte, E.. "Stochastic molecular descriptors for polymers. 2. Spherical truncation of electrostatic interactions on entropy based polymers 3D-QSAR". Polymer 46 8 (2005): 2791-2798. http://www.scopus.com/inward/record.url?eid=2-s2.0-14844364760&partnerID=MN8TOARS.
    10.1016/j.polymer.2005.01.066
  213. González-Díaz, H.; Uriarte, E.; Ramos De Armas, R.. "Predicting stability of Arc repressor mutants with protein stochastic moments". Bioorganic and Medicinal Chemistry 13 2 (2005): 323-331. http://www.scopus.com/inward/record.url?eid=2-s2.0-10444231203&partnerID=MN8TOARS.
    10.1016/j.bmc.2004.10.024
  214. Cruz-Monteagudo, M.; González-Díaz, H.. "Unified drug-target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects". European Journal of Medicinal Chemistry 40 10 (2005): 1030-1041. https://www.scopus.com/inward/record.uri?eid=2-s2.0-26444449562&partnerID=40&md5=823abf67b9dfe5fbef0df47275b50956.
    10.1016/j.ejmech.2005.04.012
  215. González-Díaz, H.; Agüero-Chapin, G.; Varona-Santos, J.; Molina, R.; De La Riva, G.; Uriarte, E.. "2D RNA-QSAR: Assigning ACC oxidase family membership with stochastic molecular descriptors; isolation and prediction of a sequence from Psidium guajava L". Bioorganic and Medicinal Chemistry Letters 15 11 (2005): 2932-2937. http://www.scopus.com/inward/record.url?eid=2-s2.0-19544379174&partnerID=MN8TOARS.
    10.1016/j.bmcl.2005.03.017
  216. González-Díaz, H.; Uriarte, E.. "Proteins QSAR with Markov average electrostatic potentials". Bioorganic and Medicinal Chemistry Letters 15 22 (2005): 5088-5094. http://www.scopus.com/inward/record.url?eid=2-s2.0-25844519060&partnerID=MN8TOARS.
    10.1016/j.bmcl.2005.07.056
  217. González-Díaz, H.; Pérez-Bello, A.; Uriarte, E.. "Stochastic molecular descriptors for polymers. 3. Markov electrostatic moments as polymer 2D-folding descriptors: RNA-QSAR for mycobacterial promoters". Polymer 46 17 (2005): 6461-6473. http://www.scopus.com/inward/record.url?eid=2-s2.0-33645291006&partnerID=MN8TOARS.
    10.1016/j.polymer.2005.04.104
  218. González-Díaz, H.; Cruz-Monteagudo, M.; Viña, D.; Santana, L.; Uriarte, E.; De Clercq, E.. "QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices". Bioorganic and Medicinal Chemistry Letters 15 6 (2005): 1651-1657. http://www.scopus.com/inward/record.url?eid=2-s2.0-14644425176&partnerID=MN8TOARS.
    10.1016/j.bmcl.2005.01.047
  219. González-Díaz, H.; Cruz-Monteagudo, M.; Molina, R.; Tenorio, E.; Uriarte, E.. "Predicting multiple drugs side effects with a general drug-target interaction thermodynamic Markov model". Bioorganic and Medicinal Chemistry 13 4 (2005): 1119-1129. http://www.scopus.com/inward/record.url?eid=2-s2.0-12844277442&partnerID=MN8TOARS.
    10.1016/j.bmc.2004.11.030
  220. Morales Helguera, A.; Cabrera Pérez, M.A.; Pérez González, M.; Ruiz Molina, R.; González Díaz, H.. "A topological substructural approach applied to the computational prediction of rodent carcinogenicity". Bioorganic and Medicinal Chemistry 13 7 (2005): 2477-2488. https://www.scopus.com/inward/record.uri?eid=2-s2.0-14844294440&partnerID=40&md5=fbc8353560e65512f9a61d2d797fe4b5.
    10.1016/j.bmc.2005.01.035
  221. Miguel Angel Cabrera Pérez; Marival Bermejo Sanz; Liliana Ramos Torres; Ricardo Grau Ávalos; Maykel Pérez González; Humberto González Díaz. "A topological sub-structural approach for predicting human intestinal absorption of drugs". European Journal of Medicinal Chemistry 39 11 (2004): 905-916. https://doi.org/10.1016%2Fj.ejmech.2004.06.012.
    10.1016/j.ejmech.2004.06.012
  222. Ronal Ramos de Armas; Humberto González Díaz; Reinaldo Molina; Maykel Pérez González; Eugenio Uriarte. "Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides". Bioorganic & Medicinal Chemistry 12 18 (2004): 4815-4822. https://doi.org/10.1016%2Fj.bmc.2004.07.017.
    10.1016/j.bmc.2004.07.017
  223. Maykel Pérez González; Luiz Carlos Dias; Aliuska Morales Helguera; Yanisleidy Morales Rodri´guez; Luciana Gonzaga de Oliveira; Luis Torres Gomez; Humberto Gonzalez Diaz. "TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds". Bioorganic & Medicinal Chemistry 12 16 (2004): 4467-4475. https://doi.org/10.1016%2Fj.bmc.2004.05.035.
    10.1016/j.bmc.2004.05.035
  224. Enrique Molina; Humberto Gonzalez Diaz; Maykel Perez Gonzalez; Elismary Rodriguez; Eugenio Uriarte. "Designing Antibacterial Compounds Through a Topological Substructural Approach.". ChemInform 35 25 (2004): https://doi.org/10.1002%2Fchin.200425226.
    10.1002/chin.200425226
  225. Marrero Ponce Y; Cabrera Pérez MA; Romero Zaldivar V; González Díaz H; Torrens F. "A new topological descriptors based model for predicting intestinal epithelial transport of drugs in Caco-2 cell culture.". Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques (2004): http://europepmc.org/abstract/med/15367375.
  226. Maykel Pérez González; Aliuska Morales Helguera; Humberto González Di´az. "A TOPS-MODE approach to predict permeability coefficients". Polymer 45 6 (2004): 2073-2079. https://doi.org/10.1016%2Fj.polymer.2003.12.014.
    10.1016/j.polymer.2003.12.014
  227. Enrique Molina; Humberto González Díaz; Maykel Pérez González; Elismary Rodríguez; Eugenio Uriarte. "Designing Antibacterial Compounds through a Topological Substructural Approach". Journal of Chemical Information and Computer Sciences 44 2 (2004): 515-521. https://doi.org/10.1021%2Fci0342019.
    10.1021/ci0342019
  228. Marrero Ponce, Y.; Cabrera Pérez, M.A.; Romero Zaldivar, V.; González Díaz, H.; Torrens, F.. "A new topological descriptors based model for predicting intestinal epithelial transport of drugs in caco-2 cell culture". Journal of Pharmacy and Pharmaceutical Sciences 7 2 (2004): 186-199. http://www.scopus.com/inward/record.url?eid=2-s2.0-8844224326&partnerID=MN8TOARS.
  229. Pérez González, M.; González Díaz, H.; Cabrera, M.A.; Molina Ruiz, R.. "A novel approach to predict a toxicological property of aromatic compounds in the Tetrahymena pyriformis". Bioorganic and Medicinal Chemistry 12 4 (2004): 735-744. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0842326730&partnerID=40&md5=34d6f3fd3713e1a515e3a6f0507ab857.
    10.1016/j.bmc.2003.11.028
  230. Marrero Ponce, Y.; Medina Marrero, R.; Castro, E.A.; Ramos De Armas, R.; González Díaz, H.; Romero Zaldivar, V.; Torrens, F.. "Protein quadratic indices of the "macromolecular pseudograph's a-carbon atom adjacency matrix". 1. Prediction of Arc repressor alanine-mutant's stability". Molecules 9 12 (2004): 1124-1147. http://www.scopus.com/inward/record.url?eid=2-s2.0-12344287241&partnerID=MN8TOARS.
  231. De Armas, R.R.; González Díaz, H.; Molina, R.; Uriarte, E.. "Markovian Backbone Negentropies: Molecular descriptors for protein research. I. Predicting protein stability in Arc repressor mutants". Proteins: Structure, Function and Genetics 56 4 (2004): 715-723. https://www.scopus.com/inward/record.uri?eid=2-s2.0-4043133700&partnerID=40&md5=fa0ee7a0178cbb0dd2df53cf78ff02ed.
    10.1002/prot.20159
  232. González Díaz, H.; Molina, R.; Uriarte, E.. "Stochastic molecular descriptors for polymers. 1. Modelling the properties of icosahedral viruses with 3D-Markovian negentropies". Polymer 45 11 (2004): 3845-3853. https://www.scopus.com/inward/record.uri?eid=2-s2.0-2342498249&partnerID=40&md5=b364703ce0a4103d3f8f0136add075f0.
    10.1016/j.polymer.2004.03.071
  233. González-Díaz, H.; Molina, R.; Uriarte, E.. "Markov entropy backbone electrostatic descriptors for predicting proteins biological activity". Bioorganic and Medicinal Chemistry Letters 14 18 (2004): 4691-4695. http://www.scopus.com/inward/record.url?eid=2-s2.0-8544220400&partnerID=MN8TOARS.
    10.1016/j.bmcl.2004.06.100
  234. Yovani Ponce; Ricardo Marrero; Eduardo Castro; Ronal Ramos de Armas; Humberto González Díaz; Vicente Zaldivar; Francisco Torrens. "Protein Quadratic Indices of the “Macromolecular Pseudograph’s a-Carbon Atom Adjacency Matrix”. 1. Prediction of Arc Repressor Alanine-mutant’s Stability". Molecules 9 12 (2004): 1124-1147. https://doi.org/10.3390%2F91201124.
    10.3390/91201124
  235. Maykel Pérez González; Humberto Gonzalez 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". Journal of Chemical Information and Computer Sciences (2003): https://doi.org/10.1021%2Fci034039.
    10.1021/ci034039+
  236. González Díaz, H.; De Armas, R.R.; Molina, R.. "Vibrational Markovian Modelling of Footprints after the Interaction of Antibiotics with the Packaging Region of HIV Type 1". Bulletin of Mathematical Biology 65 6 (2003): 991-1002. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0344962442&partnerID=40&md5=912e9784ae5bbb00ed03a4e012c7dafc.
    10.1016/S0092-8240(03)00064-8
  237. Estrada, E.; González, H.. "What are the limits of applicability for graph theoretic descriptors in QSPR/QSAR? Modeling dipole moments of aromatic compounds with TOPS-MODE descriptors". Journal of Chemical Information and Computer Sciences 43 1 (2003): 75-84. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0037262940&partnerID=40&md5=38f19240bb30a50467fa0e49e3e028f4.
    10.1021/ci025604w
  238. Díaz, H.G.; Sánchez, I.H.; Uriarte, E.; Santana, L.. "Symmetry considerations in Markovian chemicals 'in silico' design (MARCH-INSIDE) I: Central chirality codification, classification of ACE inhibitors and prediction of s-receptor antagonist activities". Computational Biology and Chemistry 27 3 (2003): 217-227. http://www.scopus.com/inward/record.url?eid=2-s2.0-0042229159&partnerID=MN8TOARS.
    10.1016/S0097-8485(02)00053-0
  239. González Díaz, H.; Marrero, Y.; Hernández, I.; Bastida, I.; Tenorio, E.; Nasco, O.; Uriarte, E.; et al. "3D-MEDNEs: An Alternative "In Silico" Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis". Chemical Research in Toxicology 16 10 (2003): 1318-1327. http://www.scopus.com/inward/record.url?eid=2-s2.0-10444249026&partnerID=MN8TOARS.
    10.1021/tx0256432
  240. Cabrera Pérez, M.A.; González Díaz, H.; Fernández Teruel, C.; Plá-Delfina, J.M.; Bermejo Sanz, M.. "A novel approach to determining physicochemical and absorption properties of 6-fluoroquinolone derivatives: Experimental assessment". European Journal of Pharmaceutics and Biopharmaceutics 53 3 (2002): 317-325. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0036218627&partnerID=40&md5=c0586051f75b6b1a9629095e2a841929.
    10.1016/S0939-6411(02)00013-9
  241. González Díaz, H.; Olazabal, E.; Castañedo, N.; Hernández Sánchez, I.; Morales, A.; Serrano, H.S.; González, J.; Ramos de Armas, R.. "Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer aided molecular disign II: Experimental and theoretical assessment of a novel method for virtual screening of fasciolicides". Journal of Molecular Modeling 8 8 (2002): 237-245. https://www.scopus.com/inward/record.uri?eid=2-s2.0-0346949042&partnerID=40&md5=398b6da24e237ceddb6936060ca3a750.
    10.1007/s00894-002-0088-7
  242. Estrada, E.; Gutierrez, Y.; González, H.. "Modeling Diamagnetic and Magnetooptic Properties of Organic Compounds with the TOSS-MODE Approach". Journal of Chemical Information and Computer Sciences 40 6 (2000): 1386-1399. http://www.scopus.com/inward/record.url?eid=2-s2.0-0001706143&partnerID=MN8TOARS.

Other

Other output
  1. QSAR, Complex Networks, Principal Components and Partial Order Analysis of Drug Cardiotoxicity with Proteome Mass- Spectra Topological Indices. 2012. Cristian R. Munteanu; Maykel Cruz-Monteagudo; Fernanda Borges; M. Natália D. S. Cordeiro; Ricardo Concu; Humberto González-Díaz. https://doi.org/10.2174%2F978160805379711201010003.
    10.2174/978160805379711201010003
  2. QSAR Study for Macromolecular RNA Folded Secondary Structures of Mycobacterial Promoters with Low Sequence Homology. 2005. Humberto González-Díaz; Alcides Pérez-Bello; Eugenio Uriarte; Yenny González-Díaz. https://doi.org/10.3390%2Fecsoc-9-01654.
    10.3390/ecsoc-9-01654
Activities

Conference scientific committee

Conference name Conference host
2015 - 2020 Founder Chairperson: MOL2NET Conference SeriesISSN: 2624-5078, MDPI SciForum, Basel, Switzerland.

Consulting

Activity description Institution / Organization
2012 - 2020 Editor of Multiple Journald: Europe Editor of Curr Top Med Chem; Guest Editor of Curr Pharm Design, MDPI Biomolecules, MDPI Molecules, MDPI Nanomaterials, Curr Drug Metabol, Curr Comp Aid Drug Des, Curr Bioinf, ... etc.
2005 - 2020 Grant Reviewer Hired/Pro-Bonon for H2020-JTI-IMI2 Europe, ERC H2020 COG Europe, ANR France, NSF USA, BBSRC UK, BMBF Germany, BARD USA-ISR, EEA Norway, UEFISCDI, Romania, etc.
2005 - 2020 Referee: Nature Protocols, Chem Reviews, Nuc Acid Research, J Med Chem, Bioinformatics, J Chem Theor Comput, etc.
Distinctions

Award

2019 ACC National Awards
Academia de Ciencias de Cuba, Cuba
2017 Top Handling Editor
Clarivate Analytics Inc, United States
2008 BMC & BMCK Most Cited Paper Award
Elsevier Inc, United States

Other distinction

2012 ANEP Researcher Accreditation
Agencia Nacional de Evaluacion y Prospectiva, Spain
2011 ANECA Prof. Accreditation
Agencia Nacional de Evaluación de la Calidad y Acreditación, Spain