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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 ...
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 ...
Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms
(MDPI AG, 2016)
This report examines the interpretation of the Graph Derivative Indices (GDIs) from three different perspectives (i.e., in structural, steric and electronic terms). It is found that the individual vertex frequencies may ...
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.