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SAR and QSAR in Environmental Research Volume 24, 2013 - Issue 1
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Articles

Event-based criteria in GT-STAF information indices: theory, exploratory diversity analysis and QSPR applications

S.J. Barigye Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Villa Clara, Cuba
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Y. Marrero-Ponce Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Villa Clara, Cuba; Institut Universitari de Ciència Molecular, Universitat de València, València, Spain; Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, València, SpainCorrespondence[email protected]
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Y. Martínez López Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Villa Clara, Cuba; Department of Computer Sciences, Faculty of Informatics, Camaguey University, Camaguey, Cuba
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O. Martínez Santiago Unit of Computer-Aided Molecular “Biosilico” Discovery and Bioinformatic Research (CAMD-BIR Unit), Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Villa Clara, Cuba; Departament of Chemical Science, Faculty of Chemistry-Pharmacy, Universidad Central “Marta Abreu” de Las Villas, Villa Clara, Cuba
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F. Torrens Institut Universitari de Ciència Molecular, Universitat de València, València, Spain
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R. García Domenech Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, València, Spain
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J. Galvez Unidad de Investigación de Diseño de Fármacos y Conectividad Molecular, Departamento de Química Física, Facultad de Farmacia, Universitat de València, València, Spain
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Pages 3-34 | Received 23 May 2012, Accepted 26 Aug 2012, Published online: 16 Oct 2012

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O. Martínez-Santiago, Y. Marrero-Ponce, R. Vivas-Reyes, O. M. Rivera-Borroto, E. Hurtado, M. A. Treto-Suarez, Y. Ramos, F. Vergara-Murillo, M. E. Orozco-Ugarriza & Y. Martínez-López. (2017) Exploring the QSAR’s predictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets. SAR and QSAR in Environmental Research 28:5, pages 367-389.
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R. Medina Marrero, Y. Marrero-Ponce, S.J. Barigye, Y. Echeverría Díaz, R. Acevedo-Barrios, G.M. Casañola-Martín, M. García Bernal, F. Torrens & F. Pérez-Giménez. (2015) QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents. SAR and QSAR in Environmental Research 26:11, pages 943-958.
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Articles from other publishers (14)

Ricardo Vivas-Reyes, Oscar Martínez-Santiago & Yovani Marrero-Ponce. (2023) Graph derivative indices interpretation from the quantum mechanics perspective. Journal of Mathematical Chemistry 61:8, pages 1739-1757.
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Stephen J. Barigye, Sergi Gómez‐Ganau, Eva Serrano‐Candelas & Rafael Gozalbes. (2020) PeptiDesCalculator : Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints . Proteins: Structure, Function, and Bioinformatics 89:2, pages 174-184.
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Yoan Martínez-López, Yovani Marrero-Ponce, Stephen J. Barigye, Enrique Teran, Oscar Martínez-Santiago, Cesar H. Zambrano & F. Javier Torres. (2019) When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?. Molecular Diversity 24:4, pages 913-932.
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Lee Steinberg, John Russo & Jeremy Frey. (2019) A new topological descriptor for water network structure. Journal of Cheminformatics 11:1.
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Stephen J. Barigye, José Manuel García de la Vega & Juan A. Castillo-Garit. (2019) Undersampling: case studies of flaviviral inhibitory activities. Journal of Computer-Aided Molecular Design 33:11, pages 997-1008.
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César R. García-Jacas, Yovani Marrero-Ponce, Fernando Cortés-Guzmán, José Suárez-Lezcano, Felix O. Martinez-Rios, Luis A. García-González, Mario Pupo-Meriño & Karina Martinez-Mayorga. (2019) Enhancing Acute Oral Toxicity Predictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes. Chemical Research in Toxicology 32:6, pages 1178-1192.
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Alfredo Meneses-Marcel, Yovani Marrero-Ponce, Alexandra Ibáñez-Escribano, Alicia Gómez-Barrio, José A Escario, Stephen J Barigye, Enrique Terán, Cesar R García-Jacas, Yanetsy Machado-Tugores, Juan J Nogal-Ruiz & Vicente J Arán-Redó. (2018) Drug repositioning for novel antitrichomonas from known antiprotozoan drugs using hierarchical screening. Future Medicinal Chemistry 10:8, pages 863-878.
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Yoan Martínez-López, Stephen J. Barigye, Oscar Martínez-Santiago, Yovani Marrero-Ponce, James Green & Juan A. Castillo-Garit. (2017) Prediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors. Environmental Toxicology and Pharmacology 56, pages 314-321.
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Stephen J. Barigye & Yovani Marrero-Ponce. 2016. Encyclopedia of Complexity and Systems Science. Encyclopedia of Complexity and Systems Science 1 28 .
Stephen J. Barigye & Matheus P. Freitas. (2015) Is molecular alignment an indispensable requirement in the MIA-QSAR method?. Journal of Computational Chemistry 36:23, pages 1748-1755.
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Stephen J. Barigye & Yovani Marrero-Ponce. 2016. Encyclopedia of Complexity and Systems Science. Encyclopedia of Complexity and Systems Science 1 28 .
A. Speck-Planche & M. N. D. S. Cordeiro. 2015. Artificial Neural Networks. Artificial Neural Networks 45 64 .
Severo Vázquez-Prieto, Humberto González-Díaz, Esperanza Paniagua, Román Vilas & Florencio M. Ubeira. (2014) A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain. Journal of Theoretical Biology 343, pages 16-24.
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Stephen J. Barigye, Yovani Marrero-Ponce, Vitalio Alfonso-Reguera & Facundo Pérez-Giménez. (2013) Extended GT-STAF information indices based on Markov approximation models. Chemical Physics Letters 570, pages 147-152.
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