Mostrando 10 resultados de: 14
Publisher
Journal of the Argentine Chemical Society(2)
Chemometrics Applications and Research: QSAR in Medicinal Chemistry(1)
Chemometrics and Intelligent Laboratory Systems(1)
Ecotoxicology and Environmental Safety(1)
Food Chemistry(1)
Área temáticas
Tecnología alimentaria(4)
Ingeniería química(3)
Programación informática, programas, datos, seguridad(3)
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Química física(3)
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: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: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:googlescopusDesirability functions as a scoring function (fitness function) in the use of genetic algorithms for variable selection
OtherAbstract:Palabras claves:Autores:Piercosimo Tripaldi, Rojas C.Fuentes:scopusFoodinformatic 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:googlescopusFoodinformatics: Quantitative Structure-Property Relationship Modeling of Volatile Organic Compounds in Peppers
ArticleAbstract: Abstract: The aim of this work was the foodinformatic (chemoinformatic) modeling of volatile organicPalabras claves:chemoinformatics, Foodinformatics, peppers, QSPR, VOCsAutores:Castro E.A., Pablo R. Duchowicz, Rojas C.Fuentes:scopus