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Article(2)
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2015(2)
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scopus(2)
Novel 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:scopus