Table 2.
Model performance (Factor of Agreement, FoA) of the IV-MBM EQP v2.0 using Tanneberger et al. [38] dataset under various assumptions regarding the effective volume of headspace (HS multiplier) and sorption to plastic (spLFER).
| IV-MBM EQP v2.0 Model Assumptions |
FoA 10MB |
FoA 10MAE |
r2 |
|---|---|---|---|
| “Non-volatiles only” (log KAW or log DAW < −4.0) | |||
| Fischer et al. plastic spLFER HS Multiplier = 1 |
0.84 | 1.27 | 0.81 |
| Kramer plastic spLFER HS Multiplier = 1 |
0.96 | 1.21 | 0.83 |
| All Chemicals | |||
| Fischer et al. plastic spLFER HS Multiplier = 1 |
1.33 | 1.89 | 0.54 |
| Fischer et al. plastic spLFER HS Multiplier = 10 |
1.17 | 1.67 | 0.71 |
| Fischer et al. plastic spLFER HS Multiplier = 50 |
0.98 | 1.59 | 0.82 |
| Fischer et al. plastic spLFER HS Multiplier = 100 |
0.88 | 1.65 | 0.86 |
| All Chemicals | |||
| Kramer plastic spLFER HS Multiplier = 1 |
1.58 | 2.03 | 0.41 |
| Kramer plastic spLFER HS Multiplier = 10 |
1.37 | 1.77 | 0.63 |
| Kramer plastic spLFER HS Multiplier = 50 |
1.11 | 1.64 | 0.81 |
| Kramer plastic spLFER HS Multiplier = 100 |
0.99 | 1.69 | 0.86 |
HS = Headspace, MB = Model bias (Equation (12)), MAE = Mean Absolute Error (Equation (13)).