rbioacc: An R-package to analyze toxicokinetic data

Area of Science:

• Environmental Science
• Ecotoxicology
• Computational Biology

Background:

• Bioaccumulation tests assess organismal chemical uptake and elimination.
• Accurate analysis of toxicokinetic data is crucial for environmental risk assessment.
• Regulatory approval of chemical substances requires robust bioaccumulation data analysis.

Purpose of the Study:

• To introduce the R-package rbioacc for analyzing bioaccumulation and depuration data.
• To provide a user-friendly tool for toxicokinetic modeling and bioaccumulation metric calculation.
• To demonstrate the application of rbioacc using real-world examples from scientific literature.

Main Methods:

• Utilizes a Bayesian framework to fit a generic one-compartment toxicokinetic model.
• Analyzes experimental data from bioaccumulation tests, including exposure and depuration phases.
• Employs R-package functions for data visualization, parameter estimation, and uncertainty quantification.

Main Results:

• rbioacc provides estimates for toxicokinetic parameters (uptake and elimination rates).
• The package calculates standard bioaccumulation metrics with associated uncertainty.
• Predictions of internal chemical concentrations are generated with confidence intervals.

Conclusions:

• rbioacc offers a comprehensive solution for analyzing bioaccumulation data, supporting regulatory compliance.
• The package enhances the accuracy and transparency of environmental risk assessments.
• Worked examples serve as guides for researchers to analyze new bioaccumulation datasets.