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Chemometrics Applications and Research: QSAR in Medicinal Chemistry(1)
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A retention index-based QSPR model for the quality control of rice
ArticleAbstract: The purpose of work presented here was to calibrate and validate a mathematical model based on a quaPalabras claves:contaminants, Dragon descriptors, Rice, Volatile organic compoundsAutores:Andres PEREZ-GONZALEZ, Cristian Rojas Villa, Pablo R. Duchowicz, Piercosimo Tripaldi, Pis Diez R., Rojas C.Fuentes:googlescopusChemoinformatic 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 prediction 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:scopusApplication of classification methods in di- and tri-bioactive peptides capable of inhibiting angiotensin-converting enzyme
OtherAbstract:Palabras claves:Autores:Andres PEREZ-GONZALEZ, Piercosimo TripaldiFuentes: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:googlescopusFoodinformatic prediction of the retention time of pesticide residues detected in fruits and vegetables using UHPLC/ESI Q-Orbitrap
ArticleAbstract: The present work describes the development of an in silico model to predict the retention time (tR)Palabras claves:Consensus analysis, Foodinformatics, Fruits and vegetables, Pesticide residues, QSPRAutores:Aranda J.F., Castro E.A., Cristian Rojas Villa, Elisa Pacheco Jaramillo, Losilla I., Pablo R. Duchowicz, Piercosimo Tripaldi, Rojas C.Fuentes:googlescopusQuantitative structure–activity relationships to predict 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