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Generalized molecular descriptors derived from event-based discrete derivative
ReviewAbstract: In the present study, a generalized approach for molecular structure characterization is introduced,Palabras claves:Atom-based derivative index, Discrete derivative, DIVATI, Event criterion, Fingerprint, Frequency matrix, PCa, QSAR/QSPR, ToMoCoMD-CARDDAutores:Cabrera R.M., César H. Zambrano, Fernando Javier Torres, Giménez F.P., López Y.M., Maykel Cruz-Monteagudo, Oscar Martínez Santiago, Stephen Jones Barigye, Thu H.L.T., Torrens F., Yaber-Goenag I., 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