Dataset for: A Toxicokinetic Framework and Analysis Tool for Interpreting OECD-305 Dietary Bioaccumulation Tests

The OECD-305 guidelines for bioaccumulation testing in fish include the option to conduct a dietary test for assessing a chemical’s bioaccumulation behavior. However, the one-compartment toxicokinetic model that is used in the guidelines to analyze the results from dietary bioaccumulation tests is not consistent with the current state of the science, experimental practices and information needs for bioaccumulation and risk assessment. This study presents (i) a two-compartment toxicokinetic modeling framework for describing the bioaccumulation of neutral hydrophobic organic chemicals in fish; and (ii) an associated toxicokinetic analysis tool (ADME-B calculator) for the analysis and interpretation of dietary bioaccumulation test data from OECD305 dietary tests. The model framework and ADME-B calculator are illustrated by analysis of fish dietary bioaccumulation test data for 238 substances representing different structural classes and susceptibilities to biotransformation. The absorption, distribution, metabolism and excretion (ADME) of the chemicals is determined from the dietary bioaccumulation tests and bioconcentration factors, biomagnification factors, somatic and intestinal biotransformation rates are presented. The two-compartment fish toxicokinetic model can account for the effect of the exposure pathway on bioaccumulation, which the one-compartment model cannot. This insight is important for applying a weight-of-evidence approach to bioaccumulation assessment where information from aqueous and dietary test endpoints can be integrated to improve the evaluation of a chemical’s bioaccumulation potential.