Mostrando 4 resultados de: 4
Filtros aplicados
Subtipo de publicación
Article(4)
Publisher
Atmospheric Environment(1)
Chemical Biology and Drug Design(1)
Chemometrics and Intelligent Laboratory Systems(1)
Fluid Phase Equilibria(1)
Área temáticas
Ciencias de la computación(2)
Química analítica(2)
Química física(2)
Ciencias Naturales y Matemáticas(1)
Dirección general(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(2)
Aprendizaje automático(1)
Ciencias de la computación(1)
Farmacología(1)
Optimización matemática(1)
Origen
scopus(4)
Linear and non-linear relationships mapping the Henry's law parameters of organic pesticides
ArticleAbstract: This work aims to pbkp_redict the air to water partitioning for 96 organic pesticides by means of thPalabras claves:artificial neural networks, Dragon molecular descriptors, Henry's law constant, QSPR-QSAR Theory, Replacement methodAutores:dos Santos Coelho L., Goodarzi M., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of the Hildebrand parameter of various solvents using linear and nonlinear approaches
ArticleAbstract: The Hildebrand solubility parameter (δ) provides a numerical estimate of the degree of interaction bPalabras claves:artificial neural networks, Fullerene, Hildebrand parameter, QSPRAutores:Fernandez F.M., Freitas M.P., Goodarzi M., Pablo R. DuchowiczFuentes:scopusPbkp_redictive QSPR study of the dissociation constants of diverse pharmaceutical compounds
ArticleAbstract: The objective of the article was to perform a pbkp_redictive analysis, based on quantitative structuPalabras claves:Enhanced replacement method, Pharmaceutical compounds, pK a, QSPRAutores:Castro E.A., Fernandez F.M., Goodarzi M., Mercader A.G., Pablo R. DuchowiczFuentes:scopuspK<inf>a</inf> modeling and pbkp_rediction of a series of pH indicators through genetic algorithm-least square support vector regression
ArticleAbstract: The pKa values of a series of 107 indicators have been modeled by means of a quantitative structure-Palabras claves:GA-LSSVR, PH indicators, pK a, quantitative structure-property relationships, SUPPORT VECTOR MACHINESAutores:Freitas M.P., Goodarzi M., Pablo R. Duchowicz, Wu C.H.Fuentes:scopus