MOSAICbioacc

MOSAICbioacc calculates bioaccumulation metrics by fitting toxicokinetic (TK) models to accumulation-depuration data to quantify Bioconcentration Factors (BCF), Biota-Media Accumulation Factors (BMF), and Biota-Sediment Accumulation Factors (BSAF) for ecotoxicological assessment.

Key Features:

• Metric calculation: Computes BCF, BMF, and BSAF for species–compound combinations and reports associated uncertainties.
• Toxicokinetic model fitting: Fits toxicokinetic (TK) models to accumulation-depuration data to derive parameter estimates used for metric calculation.
• Handling complex exposure scenarios: Accommodates various routes of exposure, metabolism, and mixtures in the analysis of accumulation-depuration data.
• Uncertainty quantification: Propagates uncertainty from model fitting to the estimated bioaccumulation metrics.
• Transparency and reproducibility: Produces results and metric estimates in a transparent format suitable for reproducibility and validation.

Scientific Applications:

• Ecotoxicological assessment: Provides quantitative bioaccumulation metrics to inform organism and chemical-specific ecotoxicology studies.
• Regulatory decision support: Supports regulatory evaluations and market authorization processes for active substances by supplying BCF, BMF, and BSAF estimates.
• Research on complex exposures: Enables investigation of the effects of multiple exposure routes, metabolism, and mixtures on bioaccumulation.

Methodology:

Automated fitting of toxicokinetic (TK) models to accumulation-depuration data, generation of BCF/BMF/BSAF from fitted TK models, and quantification of uncertainties associated with the estimated metrics.