Mostrando 4 resultados de: 4
Filtros aplicados
Subtipo de publicación
Article(4)
Publisher
Chemical Biology and Drug Design(1)
Chemometrics and Intelligent Laboratory Systems(1)
Ecotoxicology and Environmental Safety(1)
Microchemical Journal(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(3)
Aprendizaje automático(1)
Ciencias de la computación(1)
Espectroscopía(1)
Farmacología(1)
Origen
scopus(4)
Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusReplacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy
ArticleAbstract: Wavelength selection is a critical step in multivariate calibration. Variable selection methods arePalabras claves:FCAM-PLS, near-infrared spectroscopy, Orthogonalization, Replacement method, ROWS-MLRAutores:Bacelo D.E., Fioressi S.E., 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