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Conformation-independent quantitative structure-property relationships study on water solubility of pesticides
ArticleAbstract: Water solubility is a key physicochemical parameter in pesticide control and regulation, although soPalabras claves:CORAL software, Molecular descriptors, PESTICIDES, quantitative structure-property relationships, Water solubilityAutores:Aranda J.F., Bacelo D.E., Cristian Rojas Villa, Fioressi S.E., Pablo R. Duchowicz, Rojas C.Fuentes:googlescopusQSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models
ArticleAbstract: Many compounds have been proposed and tested as human epidermal growth factor receptor (EGFR) inhibiPalabras claves:Cáncer, drug design, eGFR, HER1, QSAR, Tyrosine kinase proteinAutores:Bacelo D.E., Fioressi S.E., 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:scopus