Table 7: Reliability analysis for the chemicals in the QPPR evaluation dataset.

Impact of metabolism on AUC ( A U C 𝐸 m i n / A U C 𝐸 m a x ) a
Low (<2)Medium (2–5)High (>5)

Low (<2)
QPPR prediction uncertainty (Pred./Exp. 𝐶 𝐿 i n t P L )bMedium (2–5)
High (>5)Ethylene; propylene; 1,1,1-trichloroethaneBromoform; dibromochloromethane; trans-1,2-dichloroethylene; furan; halothane; tetrachloroethylene; 1,2,4-trimethylbenzene; o-xylene

a Calculated as the ratio of the PBPK simulations of 24 h AUC (of venous blood concentration, 1 ppm VOC, 24 h exposure) obtained by setting 𝐸 = 0 (i.e., 𝐶 𝐿 i n t = 0 ) to that setting 𝐸 = 1 (i.e., 𝐶 𝐿 i n t = 1 0 0 0 ).
b Calculated as the ratio of the predicted to the experimental values of 𝐶 𝐿 i n t P L .