Mostrando 9 resultados de: 9
Filtros aplicados
Publisher
Chemometrics Applications and Research: QSAR in Medicinal Chemistry(1)
Chemometrics and Intelligent Laboratory Systems(1)
Ecotoxicology and Environmental Safety(1)
Food Chemistry(1)
Food Chemistry: Molecular Sciences(1)
Área temáticas
Tecnología alimentaria(3)
Fisiología humana(2)
Química analítica(2)
Química física(2)
Química orgánica(2)
Área de conocimiento
Bioquímica(4)
Ciencia de los alimentos(4)
Relación cuantitativa estructura-actividad(3)
Ciencia agraria(2)
Aprendizaje automático(1)
Origen
scopus(9)
ChemTastesDB: A curated database of molecular tastants
ArticleAbstract: The purpose of this work is the creation of a chemical database named ChemTastesDB that includes botPalabras claves:chemical space, ChemTastesDB, Database, Foodinformatics, TastesAutores:Ballabio D., Cristian Rojas Villa, Elisa Pacheco Jaramillo, García F., Karen Pacheco Sarmiento, Mateo Mendoza, 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: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:googlescopusA 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: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:googlescopusFoodinformatic pbkp_rediction 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 pbkp_redict the retention time (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:googlescopusQSPR analysis for the retention index of flavors and fragrances on a OV-101 column
ArticleAbstract: A pbkp_redictive quantitative structure-property relationships (QSPR) is developed for modeling thePalabras claves:Dart, Dragon software, Replacement method, Flavors and fragrances, K-Means cluster analysis, Total-order ranking, OV-101 column, QSPR TheoryAutores:Cristian Rojas Villa, Pablo R. Duchowicz, Piercosimo Tripaldi, Pis Diez R., Rojas C.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