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3D-MEDNEs: An Alternative “In Silico” Technique for Chemical Research in Toxicology. 1. Pbkp_rediction of Chemically Induced Agranulocytosis.
OtherAbstract: A novel approach to molecular negentropy from the point of view of Markov models is introduced. StocPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleTotal and Local Quadratic Indices of the â € ÂœMolecular Pseudographâ € ™ s Atom Adjacency Matrixâ € Â. Application to Pbkp_rediction of Caco-2 Permeability of Drugs
OtherAbstract: The high interest in the pbkp_rediction of the intestinal absorption for New Chemical Entities (NCEsPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleTotal and local quadratic indices of the "molecular pseudograph's atom adjacency matrix". Application to pbkp_rediction of Caco-2 permeability of drugs
ArticleAbstract: The high interest in the pbkp_rediction of the intestinal absorption for New Chemical Entities (NCEsPalabras claves:Caco-2 cell, Drug Absorption, QSPerR, Quadratic Indices, TOMO-COMD SoftwareAutores:Montero-Cabrera L.A., Ofori E., Pérez M.A.C., Yovani Marrero-Ponce, Zaldivar V.R.Fuentes:googlescopusTotal and local quadratic indices of the molecular pseudograph's atom adjacency matrix: Applications to the pbkp_rediction of physical properties of organic compounds
ArticleAbstract: A novel topological approach for obtaining a family of new molecular descriptors is proposed. In thiPalabras claves:Molecular Vector Space, Organic Compound, Physical Property, QSPR, Total and Local Quadratic IndexAutores:Yovani Marrero-PonceFuentes:googlescopus