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IMMAN: free software for information theory-based chemometric analysis
(Kluwer Academic Publishers, 2015)
Abstract: The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN (acronym for Information theory-based CheMoMetrics ANalysis) are presented. This is ...
Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets
(Institute of Electrical and Electronics Engineers Inc., 2016)
Research on similarity searching of cheminformatic data sets has been focused on similarity measures using fingerprints. However, nominal scales are the least informative of all metric scales, increasing the tied similarity ...
Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes
(Academic Press, 2015)
In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic form in the ℝn space on the coulombic matrix. For the calculation of these descriptors, macromolecular vectors belonging to ...
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 ...
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 ...
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.