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Atom, atom-type, and total linear indices of the "molecular pseudograph's atom adjacency matrix": Application to QSPR/QSAR studies of organic compounds
ArticleAbstract: In this paper we describe the application in QSPR/QSAR studies of a new group of molecular descriptoPalabras claves:2-furylethylene, Alkyl-alcohol, QSAR, QSPR, ToMoCoMD-CARDD, Total and local linear indicesAutores:Castro E.A., Garit J., Romero-Zaldivar V., Torrens F., Yovani Marrero-PonceFuentes:googlescopus3D-Chiral quadratic indices of the 'molecular pseudographa's atom adjacency matrix' and their application to central chirality codification: Classification of ACE inhibitors and pbkp_rediction of σ-receptor antagonist activities
ArticleAbstract: Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' have been generalized to coPalabras claves:3D-Chiral quadratic indices, Angiotesin-converting enzyme inhibitors, tomocomd-cardd Approach, σ-Receptor antagonistsAutores:Castro E.A., González‐díaz H., Torrens F., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:scopus3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’and their application to central chirality codification: classification of ACE inhibitors and …
OtherAbstract: Quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ have been generalized to coPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleA 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:googlescopusGonz· lez-Dıaz, H.; Romero-Zaldivar, V.; Torrens, F.; Castro, EA
OtherAbstract:Palabras claves:Autores:Yovani Marrero-PonceFuentes:googleNucleic Acid Quadratic Indices of the â € ÂœMacromolecular Graphâ € ™ s Nucleotides Adjacency Matrixâ € Â. Modeling of Footprints after the Interaction of Paromomycin …
OtherAbstract: This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPRPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleNucleic acid quadratic indices of the "macromolecular graph's nucleotides adjacency matrix". Modeling of footprints after the interaction of paromomycin with the HIV-1 Ψ-RNA packaging region
ArticleAbstract: This report describes a new set of macromolecular descriptors of relevance to nucleic acid QSAR/QSPRPalabras claves:Footprinting, Nucleic Acid Quadratic Index, paromomycin, QSPR/QSAR, RNA HIV-1, TOMOCOMD-CANAR approachAutores:Castro E.A., De Armas R.R., González‐díaz H., Nodarse D., Torrens F., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:googlescopusLinear indices of the "molecular pseudograph's atom adjacency matrix": Definition, significance-interpretation, and application to QSAR analysis of flavone derivatives as HIV-1 integrase inhibitors
ArticleAbstract: A new set of molecular descriptors of relevance to Quantitative Structure-Activity/Property RelationPalabras claves:Autores: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:googlescopusPublisher’s Announcement––New Chairman of the Executive Board of Editors for Tetrahedron Publications p 6329
OtherAbstract:Palabras claves:Autores:Yovani Marrero-PonceFuentes:google