• New antitrichomonal drug-like chemicals selected by bond (edge)-based TOMOCOMD-CARDD descriptors 

    Meneses Marcel, Alfredo; Rivera Borroto, Oscar Miguel; Marrero Ponce, Yovani; Montero Torres, Alina; Machado Tugores, Yanetsy; Escario, José Antonio; Gómez Barrio, Alicia; Montero Pereira, David; Nogal Ruiz, Juan José; Kouznetsov, Vladimir V.; Ochoa Puentes, Christian; Bohórquez, Arnaold R.; Grau Abalo, Ricardo; Torrens, Francisco; Ibarra Velarde, Froylán; Arán, Vicente J. (2008)
    Bond-based quadratic indices, new TOMOCOMD-CARDD molecular descriptors, and linear discriminant analysis (LDA) were used to discover novel lead trichomonacidals. The obtained LDA-based quantitative structure-activity ...

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