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Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals
ArticleAbstract: The concept of atom-based quadratic indices is extended to a series of molecular descriptors (MDs) (Palabras claves:2-furylethylene, Alkyl-alcohol, edge-adjacency matrix, Non-Stochastic and Stochastic Bond-Based Quadratic Indices, octane isomers, Physicochemical property, QSPR model, QSPR study, Stochastic matrix, ToMoCoMD-CARDD softwareAutores:Alvarado Y.J., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusTOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: Evaluation of different classification model combinations using bond-based linear indices
ArticleAbstract: A new set of bond-level molecular descriptors (bond-based linear indices) are used here in QSAR (quaPalabras claves:Ethylsteroid compounds, LDA-Based QSAR Model, Ligand-based virtual screening, Non-stochastic and stochastic bond-based linear indices, ToMoCoMD-CARDD software, Tyrosinase inhibitorAutores:Ather A., Gerardo M. Casañola-Martin, Khan M.T.H., Rotondo R., Sultan S., Torrens F., Yovani Marrero-PonceFuentes:scopus