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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:googlescopusQSAR pbkp_redictions on antichagas fenarimols
ArticleAbstract: A useful QSAR model was developed to pbkp_redict the antichagas activity for 760 fenarimol analoguesPalabras claves:Chagas disease, Fenarimol compounds, Molecular descriptors, Quantitative structure-activity relationshipsAutores:Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusQSPR 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: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