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A linear discrimination analysis based virtual screening of trichomonacidal lead-like compounds: Outcomes of in silico studies supported by experimental results
ArticleAbstract: A computational (virtual) screening test to identify potential trichomonacidals has been developed.Palabras claves:Atom-based quadratic indices, Cytotoxic properties, LDA-based model, ToMoCoMD-CARDD software, TrichomonacidalAutores:Arán V.J., García-Sánchez R.N., García-Trevijano J.A.E., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Ochoa C., Pereira D.M., Yovani Marrero-PonceFuentes:googlescopusNew ligand-based approach for the discovery of antitrypanosomal compounds
ArticleAbstract: The antitrypanosomal activity of 10 already synthesized compounds was in silico pbkp_redicted as welPalabras claves:Antitypanosomal compound, LDA-model, TOMOCOMD softwareAutores:Arán V.J., García-Trevijano J.A.E., Gómez-Barrio A., Meneses-Marcel A., Montero-Torres A., Nogal-Ruiz J.J., Rolón M.S., Torrens F., Vega M.C., Yovani Marrero-PonceFuentes:googlescopus