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Atom, atom-type and total molecular linear indices as a promising approach for bioorganic and medicinal chemistry: Theoretical and experimental assessment of a novel method for virtual screening and rational design of new lead anthelmintic
ArticleAbstract: Helminth infections are a medical problem in the world nowadays. In this paper a novel atom-level chPalabras claves:Anthelmintic activity, QSAR, ToMoCoMD-CARDD software, Total and local linear indices, Virtual ScreeningAutores:Castañedo N., Castro E.A., Garit J., Huesca-Guillén A., Ibarra-Velarde F., Morales A., Olazabal E., Sánchez A.M., Serrano H.S., Torrens F., Yovani Marrero-PonceFuentes:googlescopusQuadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their stochastic forms: A novel approach for virtual screening and in silico discovery of new lead paramphistomicide drugs-like compounds
ArticleAbstract: Quadratic indices of the 'molecular pseudograph's atom adjacency matrix' have been generalized to coPalabras claves:Paramphistomicide compound, QSAR, Quadratic Indices, Stochastic quadratic indices, ToMoCoMD-CARDD softwareAutores:Huesca-Guillén A., Ibarra-Velarde F., Yovani Marrero-PonceFuentes:googlescopus