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Article(4)
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Chemical Engineering Research and Design(1)
Ecotoxicology and Environmental Safety(1)
Environmental Science and Pollution Research(1)
Journal of Molecular Liquids(1)
Conformation-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:googlescopusQSPR study of the Henry's law constant for heterogeneous compounds
ArticleAbstract: We establish a Quantitative Structure-Property Relationships study on the Henry's law constant of 53Palabras claves:Henry's law constant, Molecular descriptors, PESTICIDES, quantitative structure-property relationships, Replacement methodAutores:Aranda J.F., Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of the aqueous solubility of diverse compounds by 2D-QSPR
ArticleAbstract: Non conformational QSPR models were built for the aqueous solubility (mol/L) at 25 °C of 5610 structPalabras claves:Aqueous solubility, Conformation-independent molecular descriptors, Linear regression models, quantitative structure-property relationshipsAutores:Aranda J.F., Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusThe conformation-independent QSPR approach for pbkp_redicting the oxidation rate constant of water micropollutants
ArticleAbstract: In advanced water treatment processes, the degradation efficiency of contaminants depends on the reaPalabras claves:Molecular descriptors, quantitative structure-property relationships, Reaction rate constant, Replacement method, Water micropollutantAutores:Bacelo D.E., Bennardi D.O., Fioressi S.E., Ortiz E.V., Pablo R. DuchowiczFuentes:scopus