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Journal of Molecular Graphics and Modelling(2)
Chemometrics and Intelligent Laboratory Systems(1)
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Aceites, grasas, ceras y gases industriales(1)
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scopus(3)
QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents
ArticleAbstract: In a continuing effort of our research group to identify new active compounds against MycobacteriumPalabras claves:Multivariable Linear Regression, QSAR, Quinoxaline oxides, Replacement method, TuberculosisAutores:Castro E.A., Monge A., Pablo R. Duchowicz, Vicente E.Fuentes:scopusPbkp_redictive modeling of the total deactivation rate constant of singlet oxygen by heterocyclic compounds
ArticleAbstract: We constructed a pbkp_redictive model of the total deactivation rate constant (kt) of singlet oxygenPalabras claves:Enhanced replacement method, Genetic Algorithm, heterocycles, QSPR, singlet oxygenAutores:Cabrerizo F.M., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Thomas A.H.Fuentes:scopusPbkp_rediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR
ArticleAbstract: We provide QSAR models for the growth inhibition of the ciliated protozoan Tetrahymena pyriformis byPalabras claves:Flexible descriptors, IGC 50, Phenol derivatives, QSAR studies, Replacement method, Tetrahymena pyriformisAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. DuchowiczFuentes:scopus