Table 4: Reliability analysis of the QPPR for 𝐶 𝐿 𝑖 𝑛 𝑡 on the PBPK predicted AUC.

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)

QPPR prediction uncertainty (Pred./Exp. CLintPL)bLow (<2)Isoprene, vinyl chlorideBenzene; bromochloromethane; bromodichloromethane; chloroform; dibromomethane; 1,2-dichloroethane; hexachloroethane; n-hexane; pentachloroethane; styrene; 1,1,1,2-tetrachloroethane; 1,1,2,2-tetrachloroethane; toluene; 1,1,2-trichloroethane; trichloroethylene; m-xylene
Medium (2–5)1,1,-DichloroethyleneCarbon tetrachloride; chloroethane; 1,1-dichloroethane; cis-1,2-dichloroethylene; dichloromethane; ethylbenzene; methyl chloride
High (>5)

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 .