Evaluation of Existing Models to Estimate Sorption Coefficients for Ionisable Pharmaceuticals in Soils and Sludge.

ABSTRACT: In order to assess the environmental risk of a pharmaceutical, information is needed on the sorption of the compound to solids. Here we use a high-quality database of measured sorption coefficients, all determined following internationally recognised protocols, to evaluate models that have been proposed for estimating sorption of pharmaceuticals from chemical structure, some of which are already being used for environmental risk assessment and prioritization purposes. Our analyses demonstrate that octanol-water partition coefficient (Kow) alone is not an effective predictor of ionisable pharmaceutical sorption in soils. Polyparameter models based on pharmaceutical characteristics in combination with key soil properties, such as cation exchange capacity, increase model complexity but yield

SUBMITTER: Carter LJ 

PROVIDER: S-EPMC7151744 | biostudies-literature | 2020 Feb

REPOSITORIES: biostudies-literature