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Current Computer-Aided Drug Design(1)
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scopus(3)
Event-based criteria in GT-STAF information indices: Theory, exploratory diversity analysis and QSPR applications
ArticleAbstract: Versatile event-based approaches for the definition of novel information theory-based indices (IFIs)Palabras claves:CLÚSTER ANALYSIS, conditional and joint entropy, Event, GT-STAF, magnitude criterion, QSPR, Shannon's, mutual, ToMoCoMD-CARDDAutores:Domenech R.G., Gálvez J., Santiago O.M., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusShannon's, mutual, conditional and joint entropy information indices: Generalization of global indices defined from local vertex invariants
ArticleAbstract: A new mathematical approach is proposed in the definition of molecular descriptors (MDs) based on thPalabras claves:Conditional entropy, Frequency matrix, Joint entropy, Mutual entropy, Principal Component Analysis, QSPR, Shannon's entropy, Structural descriptor, SubgraphAutores:Oscar Martínez Santiago, Pérez-Giménez F., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusRelations frequency hypermatrices in mutual, conditional and joint entropy-based information indices
ArticleAbstract: Graph-theoretic matrix representations constitute the most popular and significant source of topologPalabras claves:2-Furylethylene derivative, hypermatrix, Information index, physico-chemical property, QSPR study, relations frequency matrix, Variability analysisAutores:Artiles-Martínez L.M., Oscar Martínez Santiago, Pino-Urias R.W., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopus