Evaluation of various molecular parameters as predictors of bioconcentration in fish.

A reliable set of data on the bioconcentration factors of a diverse range of compounds in fish was selected from the literature. Regression relationships between a number of calculated molecular parameters and the logarithm of the bioconcentration factor were analysed. The results show that the solvent accessible surface area, the corresponding volume and the molar refractivity were good predictors of the bioconcentration when chlorinated hydrocarbons and polyaromatic hydrocarbons were considered combined or alone. (IUCT)