Listar por tema "TOMOCOMD-CARDD"
Mostrando ítems 1-4 de 4
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Generalized molecular descriptors derived from event-based discrete derivative
(Bentham Science Publishers B.V., 2016)In the present study, a generalized approach for molecular structure characterization is introduced, based on the relation frequency matrix (F) representation of the molecular graph and the subsequent calculation of the ... -
Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
(Wiley-VCH Verlag, 2015)The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed computation of the 3D Multi-Linear algebraic molecular indices. The main motivation for developing this module is to deal with ... -
Novel global and local 3D atom-based linear descriptors of the Minkowski distance matrix: theory, diversity–variability analysis and QSPR applications
(Kluwer Academic Publishers, 2015)A new family of alignment-free 3D descriptors based on TOMOCOMD-CARDD framework has been designed, namely 3D-linear indices. In this report, we have proposed the use of a generalized form of the geometric pairwise atom-atom ... -
Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
(Bentham Science Publishers B.V., 2015)The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based on algebraic bilinear, quadratic and linear forms on the kth two-tuple spatial-(dis)similarity matrix. Generalization schemes ...
Universidad Tecnológica de Bolívar - 2017 Institución de Educación Superior sujeta a inspección y vigilancia por el Ministerio de Educación Nacional. Resolución No 961 del 26 de octubre de 1970 a través de la cual la Gobernación de Bolívar otorga la Personería Jurídica a la Universidad Tecnológica de Bolívar.