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Bond-based 3D-chiral linear indices: Theory and QSAR applications to central chirality codification
ArticleAbstract: The recently introduced non-stochastic and stochastic bond-based linear indices are been generalizedPalabras claves:3D-QSAR, Angiotesin-converting enzyme inhibitor, Binding affinity steroid, Non-stochastic and stochastic bond-based 3D-chiral linear indices, σ-Receptor antagonistAutores:García-Domenech R., Garit J., Romero-Zaldivar V., Torrens F., Yovani Marrero-PonceFuentes:scopusA new topological descriptors based model for pbkp_redicting intestinal epithelial transport of drugs in caco-2 cell culture
ArticleAbstract: Purpose: Quantitative Structure-Permeability Relationships (QSPerR) of the intestinal permeability aPalabras claves:Autores:González‐díaz H., Pérez M.A.C., Romero-Zaldivar V., Torrens F., Yovani Marrero-PonceFuentes:googlescopusProtein quadratic indices of the "macromolecular pseudograph's α-carbon atom adjacency matrix". 1. Pbkp_rediction of Arc repressor alanine-mutant's stability
ArticleAbstract: This report describes a new set of macromolecular descriptors of relevance to protein QSAR/QSPR studPalabras claves:Alanine-Substitution Mutant, arc repressor, Protein Quadratic Indices, Protein stability, QSPR, TOMOCOMD softwareAutores:Castro E.A., González‐díaz H., Medina-Marrero R., Ramos De Armas R., Romero-Zaldivar V., Torrens F., Yovani Marrero-PonceFuentes:googlescopus