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Current Computer-Aided Drug Design(1)
Journal of Computer-Aided Molecular Design(1)
SAR and QSAR in Environmental Research(1)
Bond-based linear indices in QSAR: Computational discovery of novel anti-trichomonal compounds
ArticleAbstract: Trichomonas vaginalis (Tv) is the causative agent of the most common, non-viral, sexually transmittePalabras claves:Bond-based linear indices, In vitro cytostatic and cytocidal activities, LDA-assisted QSAR model, ToMoCoMD-CARDD software, Trichomonacidal, Virtual ScreeningAutores:Arán V.J., García-Domenech R., García-Trevijano J.A.E., Gómez-Barrio A., Grau-Ábalo R.d.C., Julián-Ortiz J.V., Meneses-Marcel A., Montero A., Nogal-Ruiz J.J., Pereira D.M., Rivera-Borroto O.M., Torrens F., Vogel C., Yovani Marrero-PonceFuentes:googlescopusA Fuzzy System Classification Approach for QSAR Modeling of αAmylase and α-Glucosidase Inhibitors
ArticleAbstract: Introduction: This report proposes the application of a new Machine Learning algorithm called FuzzyPalabras claves:Anti-diabetic agents, FURIA-C, induction rule, Lda, machine-learning techniques, QSARAutores:Amilkar Puris, Gerardo M. Casañola-Martin, González‐díaz H., Karel Diéguez-Santana, Rasulev B., Rivera-Borroto O.M.Fuentes:googlescopusExploring the QSAR’s pbkp_redictive truthfulness of the novel N-tuple discrete derivative indices on benchmark datasets
ArticleAbstract: Graph derivative indices (GDIs) have recently been defined over N-atoms (N = 2, 3 and 4) simultaneouPalabras claves:CARDD suite, DIVATI module, feature selection, free and open source software, genetic algorithm, Friedman test for multiple comparisons, graph derivative indices, Keysfinder framework, Molecular descriptors, multiple linear regression, QSAR model, TOMOCOMD systemAutores:Hurtado E., Orozco-Ugarriza M.E., Oscar Martínez Santiago, Ramos Y., Rivera-Borroto O.M., Treto-Suarez M.A., Vergara-Murillo F., Vivas-Reyes R., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopus