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Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials’ Discovery
ArticleAbstract: Microbial biofilms cause several environmental and industrial issues, even affecting human health. APalabras claves:antibiofilm peptide, centrality measure, chemical space, Complex network, motif discovery, StarPep toolboxAutores:Agüero-Chapin G., Antunes A., César H. Zambrano, Ernesto Contreras-Torres, Jose R. Mora, Martinez-Rios F.O., Noel Perez, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusN-linear algebraic maps for chemical structure codification: A suitable generalization for atom-pair approaches?
ArticleAbstract: The present manuscript introduces, for the first time, a novel 3D-QSAR alignment free method (QuBiLSPalabras claves:3D Three-linear and four-linear indices, aggregation operator, Cramer's steroid, N-tuple simple stochastic and mutual probability matrices, N-tuple spatial-(Dis)similarity matrix, Principal Component Analysis, QSAR, QuBiLS-MIDAS N-tuples, Shannon entropy, ToMoCoMD-CARDD, Variability analysisAutores:César R. García-Jacas, Olivero-Verbel J., Rivera-Borroto O.M., Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusNovel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
ArticleAbstract: A new family of alignment-free 3D descriptors based on TOMOCOMD-CARDD framework has been designed, nPalabras claves:3D-linear index, QSPR study, ToMoCoMD-CARDD, Variability analysisAutores:Alvarado Y.J., Ariza-Rico H., César R. García-Jacas, Cubillan N., Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusIMMAN: free software for information theory-based chemometric analysis
ArticleAbstract: Abstract: The features and theoretical background of a new and free computational program for chemomPalabras claves:chemometric analysis, classification, Computational program, feature selection, IMMAN, Information-theoretic functionAutores:César R. García-Jacas, Pérez-Giménez F., Stephen Jones Barigye, Urias R.W.P., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusOptimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
ArticleAbstract: The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based oPalabras claves:3D-QSAR, aggregation operator, Alignment free method, Minkowski distance matrix, Principal Component Analysis, QuBiLS-MIDAS, ToMoCoMD-CARDD, Two-tuple spatial-(dis)similarity matrix, Variability analysisAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Pino-Urias R.W., Rivera-Borroto O.M., Stephen Jones Barigye, Thu H.L.T., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusLEGO-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:scopusQuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
ArticleAbstract: Background: In previous reports, Marrero-Ponce et al. proposed algebraic formalisms for characteriziPalabras claves:Atom/bond-based molecular descriptor, Bilinear and quadratic indices, Double stochastic, free and open source software, Linear, Mutual probability matrices, Non-stochastic, QSAR, QuBiLS-MAS, Simple stochastic, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Morell Pérez C., Pérez-Giménez F., Pham-The H., Stephen Jones Barigye, Valdés-Martiní J.R., Vaz D‘Almeida Y.S., Yovani Marrero-PonceFuentes:scopusQuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps
ArticleAbstract: The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for thPalabras claves:3D N-linear indices, chemical development kit, double stochastic and mutual probability matrices, Java language, N-tuple simple stochastic, N-tuple spatial-(Dis)similarity matrix, QuBiLS-MIDAS, scalability, Speed up, ToMoCoMD-CARDDAutores:Acevedo-Martínez L., César R. García-Jacas, Ernesto Contreras-Torres, Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopus