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3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’and their application to central chirality codification: classification of ACE inhibitors and …
OtherAbstract: Quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ have been generalized to coPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleComparación de estrategias aglomerativas combinatorias tipo Ward usando conjuntos de datos quimioinformáticos y descriptores moleculares reales seleccionados por técnicas de …
OtherAbstract: El trabajo aborda la temática de los algoritmos de conglomerados combinatorios y su aplicación en prPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleBond, Bond-Type, and Total Linear Indices of the non-Stochastic and Stochastic Edge Adjacency Matrix. 1. Theory and QSPR Studies
OtherAbstract: Novel bond-level molecular descriptors based on linear maps similar to those defined in algebra theoPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleAplicación de Métodos de Integración Numérica a la Resolución de Ecuaciones Diferenciales Ordinarias Implicadas en Fenómenos de Naturaleza Física, Química, Ingenieril y …
OtherAbstract: El presente trabajo aborda el tema de la resolución de disímiles problemas (de índole físico, químicPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleGlobal stability of protein folding from an empirical free energy function
ArticleAbstract: The principles governing protein folding stand as one of the biggest challenges of Biophysics. ModelPalabras claves:Empirical potential for proteins, Pbkp_rediction of protein folding stability, PROTCALAutores:García Y., Paz W., Ruiz-Blanco Y.B., Salgado J., Yovani Marrero-PonceFuentes:googlescopusExtended GT-STAF information indices based on Markov approximation models
ArticleAbstract: A series of novel information theory-based molecular parameters derived from the insight of a molecuPalabras claves:Autores:Alfonso-Reguera V., Pérez-Giménez F., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusExtending graph (discrete) derivative descriptors to N-tuple atom-relations
ArticleAbstract: In the present manuscript, an extension of the previously defined Graph Derivative Indices (GDIs) isPalabras claves:Autores:Cabrera R.M., De León J.O.G., Martínez L.M.A., Pérez-Giménez F., Santiago O.M., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusExpanding the Current Boundaries of Nature-based Modeling and Computing: Chem-Inspiration for Meta-Heuristics
OtherAbstract: High-throughput methods in science have created a trend to generate massive amount of data that chalPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleIntegration of algebra and chemistry concepts with molecular descriptors: A problem-basedlearning exercise
ArticleAbstract: A problem-based learning experience integrating mathematical concepts of linear and abstract algebraPalabras claves:Abstract and linear algebra, chemoinformatics, Multidisciplinary, Problem-based-learningAutores:Cubillan N., González A.I., Yovani Marrero-PonceFuentes:googlescopusLEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs
ArticleAbstract: Novel 3D protein descriptors based on bilinear, quadratic and linear algebraic maps in Rn are proposPalabras claves:3D-protein descriptor, aggregation operator, Amino acid interaction, folding rate, Machine learning, METRICS, Normalization procedure, Protein structural classes, Two-linear algebraic formsAutores:César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Julio E. Terán, Pérez-Giménez F., Valdés-Martiní J.R., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopus