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Chemometrics and Intelligent Laboratory Systems(2)
Bioorganic and Medicinal Chemistry(1)
Engineering Tools in the Beverage Industry: Volume 3: The Science of Beverages(1)
Journal of Fluorine Chemistry(1)
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scopus(5)
Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories
ArticleAbstract: We improve a recently developed Replacement Method (RM) for the selection of an optimal set of molecPalabras claves:Full Search, Multivariable Linear Regression, QSPR-QSAR Studies, Replacement method, Simulated Annealing MethodologyAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. DuchowiczFuentes:scopusQSAR pbkp_rediction of inhibition of aldose reductase for flavonoids
ArticleAbstract: We performed a pbkp_redictive analysis based on quantitative structure-activity relationships (QSAR)Palabras claves:Aldose reductase inhibition, Cataract prevention, Dragon molecular descriptors, Enhanced replacement method, Flavone derivative, Genetic Algorithm, QSAR, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P.Fuentes:scopusQSPR analysis of fluorophilicity for organic compounds
ArticleAbstract: We constructed a QSPR model from 116 organic compounds for the pbkp_rediction of fluorophilicity. ThPalabras claves:Fluorophilicity, Molecular descriptors, QSPR Theory, Replacement methodAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Sanservino M.A.Fuentes:scopusQuantitative Structure-Property Relationship (QSPR) Studies of Alcoholic and Nonalcoholic Beverages, Including Wines, Beers, and Citrus Juices
Book PartAbstract: Amino acid concentrations of alcoholic and nonalcoholic beverages from Argentina were established byPalabras claves:Alcoholic beverages, amino acids, Aminograms, Blonde and black beers, Citrus juices and concentrates, Eureka lemon, Malts, Merlot red wine, Multivariable Linear Regression, Navel and Valencia oranges, Nonalcoholic beverages, QSPR models, Quantitative Structure-Property Relationships (QSPR), Replacement method, Torrontés white wine, WinesAutores:Mercader A.G., Pablo R. Duchowicz, Pomilio A.B.Fuentes:scopusPbkp_rediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR
ArticleAbstract: We provide QSAR models for the growth inhibition of the ciliated protozoan Tetrahymena pyriformis byPalabras claves:Flexible descriptors, IGC 50, Phenol derivatives, QSAR studies, Replacement method, Tetrahymena pyriformisAutores:Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. DuchowiczFuentes:scopus