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Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds
ArticleAbstract: We pbkp_redict the soil sorption coefficient for a heterogeneous set of 643 organic non-ionic compouPalabras claves:Correlation and logic software, Estimation program interface suite software, Pharmaceutical data exploration laboratory software, quantitative structure-property relationships, Replacement method, Soil sorption coefficientAutores:Aranda J.F., Castro E.A., Martinez J.C.G., Pablo R. DuchowiczFuentes:scopusPbkp_redicting the bioconcentration factor through a conformation-independent QSPR study
ArticleAbstract: The ANTARES dataset is a large collection of known and verified experimental bioconcentration factorPalabras claves:Bioconcentration factor (BCF), Molecular descriptors, PESTICIDES, quantitative structure-property relationships, Replacement methodAutores:Aranda J.F., Bacelo D.E., Castro E.A., Leguizamón Aparicio M.S., Ocsachoque M.A., Pablo R. DuchowiczFuentes:scopus