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Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental assessment of a promising method for the discovery of new antimalarial compounds
ArticleAbstract: In order to explore the ability of non-stochastic quadratic indices to encode chemical information iPalabras claves:Antimalarial compounds, Lda, Non-stochastic quadratic index, QSAR, ToMoCoMD-CARDD softwareAutores:Arán V.J., García-Sánchez R.N., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Ochoa C., Torrens F., Yovani Marrero-PonceFuentes:googlescopusQuantitative structured antitumoral-activity relationships of thiadiazinthione derivatives using the novel hybrid molecular index <sup>p</sup>MR<inf>χ</inf>
ArticleAbstract: Purpose. The recently defined molarrefractivity-partition index was applied to a family of 1,3,5- thPalabras claves:Autores:Carrasco R., Hortensia Rodriguez Cabrera, Ochoa C., Padrón J.A., Perez-Pineiro R., Suárez Navarro M.Fuentes:googlescopus