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Article(3)
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Ecotoxicology and Environmental Safety(1)
Journal of Chromatography A(1)
Journal of the Science of Food and Agriculture(1)
Chemoinformatic modelling of the antioxidant activity of phenolic compounds
ArticleAbstract: BACKGROUND: Antioxidants are chemicals used to protect foods from deterioration by neutralizing freePalabras claves:Antioxidant activity, Molecular descriptors, OECD, PHENOLIC COMPOUNDS, QSAR, TeacAutores:Cristian Rojas Villa, Fissore E.N., Idrovo-Encalada A.M., Piercosimo Tripaldi, Pis Diez R., Rojas A.M., Rojas C.Fuentes:googlescopusConformation-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:googlescopusQuantitative structure-property relationship analysis for the retention index of fragrance-like compounds on a polar stationary phase
ArticleAbstract: A quantitative structure-property relationship (QSPR) was developed for modeling the retention indexPalabras claves:Carbowax 20M column, Dragon software, Fragrance, K-Means cluster analysis, QSPR Theory, Replacement methodAutores:Pablo R. Duchowicz, Piercosimo Tripaldi, Pis Diez R., Rojas C.Fuentes:scopus