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Dry selection and wet evaluation for the rational discovery of new anthelmintics
ArticleAbstract: Helminths infections remain a major problem in medical and public health. In this report, atom-basedPalabras claves:Anthelmintic activity, Computational Screening, free and open source software, indazole, LDA-Based QSAR Model, lead generation, non-stochastic and stochastic atom-based bilinear indices, QuBiLs-MAS module, ToMoCoMD-CARDD softwareAutores:Arán V.J., Castañeda Y.G., Garit J., Ibarra-Velarde F., Montenegro Y.V., Pérez-Giménez F., Pham-The H., Thu H.L.T., Torrens F., Vergara F.M., Vivas-Reyes R., 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