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Frontiers in Chemistry(1)
Journal of the Science of Food and Agriculture(1)
Protein and Peptide Letters(1)
Theoretical Chemistry Accounts(1)
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Programación informática, programas, datos, seguridad(2)
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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:googlescopusClassification-based QSAR models for the pbkp_rediction of the bioactivity of ACE-inhibitor peptides
ArticleAbstract: Background: Local classification models were used to establish Quantitative Struc-ture−Activity RelaPalabras claves:ACE, Bioactive peptides, Dragon descriptors, Knn, N3, QSARAutores:Andres PEREZ-GONZALEZ, Ballabio D., Johann Radax, Piercosimo Tripaldi, Rojas C., Todeschini R.Fuentes:scopusA 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:googlescopusQuantitative structure–activity relationships to pbkp_redict sweet and non-sweet tastes
ArticleAbstract: The aim of this work was the calibration and validation of mathematical models based on a quantitatiPalabras claves:classification, K-NEAREST NEIGHBORS, QSAR, SweetnessAutores:Ballabio D., Consonni V., Cristian Rojas Villa, Mauri A., Piercosimo Tripaldi, Rojas C., Todeschini R.Fuentes:googlescopus