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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:googlescopusWhen global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler?
ArticleAbstract: Abstract: In this report, we introduce a set of aggregation operators (AOs) to calculate global andPalabras claves:aggregation operator, Atom weight vector, MD-LOVIs software, molecular descriptor, No free lunch theorem, PCa, QSP(A)R, Shannon entropyAutores:César H. Zambrano, Enrique Terán, Fernando Javier Torres, Oscar Martínez Santiago, Stephen Jones Barigye, Yoan Martínez López, Yovani Marrero-PonceFuentes:googlescopus