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Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusLinear and non-linear relationships mapping the Henry's law parameters of organic pesticides
ArticleAbstract: This work aims to pbkp_redict the air to water partitioning for 96 organic pesticides by means of thPalabras claves:artificial neural networks, Dragon molecular descriptors, Henry's law constant, QSPR-QSAR Theory, Replacement methodAutores:dos Santos Coelho L., Goodarzi M., Ortiz E.V., 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