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Chemometrics Applications and Research: QSAR in Medicinal Chemistry(1)
Ecotoxicology and Environmental Safety(1)
Frontiers in Chemistry(1)
Journal of the Science of Food and Agriculture(1)
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Química física(2)
Bioquímica(1)
Farmacología y terapéutica(1)
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Tecnología alimentaria(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:googlescopusA QSTR-based expert system to pbkp_redict sweetness of molecules
ArticleAbstract: This work describes a novel approach based on advanced molecular similarity to pbkp_redict the sweetPalabras claves:classification, Expert System, Molecular descriptors, QSAR, SweetnessAutores:Ballabio D., Consonni V., Cristian Rojas Villa, Grisoni F., Mauri A., Piercosimo Tripaldi, Rojas C., Todeschini R.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:googlescopusApplications of quantitative structure-relative sweetness relationships in food chemistry
Book PartAbstract: This chapter reviews multicriteria quantitative structure-relative sweetness relationships (QSRSR) aPalabras claves:Molecular descriptors, QSAR/QSPR Theory, Relative sweetness, sucrose, SweetenersAutores:Cristian Rojas Villa, Pablo R. Duchowicz, Piercosimo Tripaldi, Pis Diez R., Rojas C.Fuentes:googlescopus