Fig. 4

Applicability of the rTK models trained in adult zebrafish to other life-stages of zebrafish and to other fish species. a The predicted log₁₀ BCF vs. the observed log₁₀ BCF values of 55 chemicals measured in zebrafish embryos using the optimized source and sink 7C model (RMSE = 1.220). b The predicted log₁₀ BCF vs. the observed log₁₀ BCF values measured in zebrafish embryos using the 1C model (RMSE = 0.812). c The predicted log₁₀ BCF values vs. the observed log₁₀ BCF values of 97 chemicals measured in 31 species of fish (653 total measurements) using the optimized source and sink 7C model. d The predicted log₁₀ BCF values vs. the observed log₁₀ BCF values from different species using the 1C model. e Histogram depicting the number of species with RMSE values for the predicted vs. observed BCFs within a range of values (bin size = 0.2) for the optimized source and sink 7C model. f Histogram depicting the number of species with RMSE values for the predicted vs. observed BCFs within a range of values (bin size = 0.2) for the 1C model. The 7C model demonstrates an improvement in the predictability of the BCF values over the 1C model (p = 0.0078, Student’s t-test), however, both models demonstrate 95% confidence intervals for RMSE above zero (0.687–1.0 for 7C, 0.99–1.32 for 1C)