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Higher-order and mixed discrete derivatives such as a novel graph-theoretical invariant for generating new molecular descriptors
ArticleAbstract: Background: Recently, some authors have defined new molecular descriptors (MDs) based on the use ofPalabras claves:Corticosteroid binding globulin, Derivative of molecular graph, Discrete derivative, Frequency hypermatrix, Graph Theory, Higher order of discrete derivative, Mixed discrete derivative, Molecular fragmentations, QSAR, steroidsAutores:César H. Zambrano, Fernando Javier Torres, Hurtado-Rodríguez E., Oscar Martínez Santiago, Pham-The H., Ugarriza M.E.O., Vivas-Reyes R., Yoan Martínez López, Yovani Marrero-PonceFuentes:googlescopusQuantitative structure-retention relationships of polychlorinated biphenyls (PCBs) gas chromatographic retention times: A quantum similarity approach
ArticleAbstract: Polychlorinated biphenyls (PCBs) are a series of aromatic compounds which are considered as of majorPalabras claves:Gas chromatography, PCBs, QSRR, Quantum Similarity, TGSAAutores:Anaya-Gil J., Drosos J., Gueto-Tettay C., Luis Rincon, Marrugo J., Vivas-Reyes R.Fuentes:googlescopus