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Pbkp_redicting antitrichomonal activity: A computational screening using atom-based bilinear indices and experimental proofs
ArticleAbstract: Existing Trichomonas vaginalis therapies are out of reach for most trichomoniasis people in developiPalabras claves:Atom-based bilinear index, Computational Screening, Cytostatic and cytocidal activity, LDA-Based QSAR Model, lead generation, ToMoCoMD-CARDD software, TrichomonacidalAutores:Alvarado Y.J., Arán V.J., García-Trevijano J.A.E., Garit J., Gómez-Barrio A., Ibarra-Velarde F., Machado-Tugores Y., Martínez-Fernández A.R., Meneses-Marcel A., Nogal-Ruiz J.J., Pereira D.M., Rotondo R., Torrens F., Yovani Marrero-PonceFuentes:googlescopusTOMOCOMD-CARDD descriptors-based virtual screening of tyrosinase inhibitors: Evaluation of different classification model combinations using bond-based linear indices
ArticleAbstract: A new set of bond-level molecular descriptors (bond-based linear indices) are used here in QSAR (quaPalabras claves:Ethylsteroid compounds, LDA-Based QSAR Model, Ligand-based virtual screening, Non-stochastic and stochastic bond-based linear indices, ToMoCoMD-CARDD software, Tyrosinase inhibitorAutores:Ather A., Gerardo M. Casañola-Martin, Khan M.T.H., Rotondo R., Sultan S., Torrens F., Yovani Marrero-PonceFuentes:scopus