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scopus(5)
N-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: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:scopusRelations frequency hypermatrices in mutual, conditional and joint entropy-based information indices
ArticleAbstract: Graph-theoretic matrix representations constitute the most popular and significant source of topologPalabras claves:2-Furylethylene derivative, hypermatrix, Information index, physico-chemical property, QSPR study, relations frequency matrix, Variability analysisAutores:Artiles-Martínez L.M., Oscar Martínez Santiago, Pino-Urias R.W., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusPbkp_rediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors
ArticleAbstract: Several descriptors from atom weighted vectors are used in the pbkp_rediction of aquatic toxicity ofPalabras claves:aggregation operator, Aquatic toxicity, Atom weighted vector, molecular descriptor, multiple linear regression, Variability analysisAutores:Garit J., Green J.R., Oscar Martínez Santiago, Stephen Jones Barigye, Yoan Martínez López, Yovani Marrero-PonceFuentes:scopus