Quantitative Property-Property Relationship for Screening-Level Prediction of Intrinsic Clearance of Volatile Organic Chemicals in Rats and Its Integration within PBPK Models to Predict Inhalation Pharmacokinetics in Humans
Table 6
Area under the curve for four metabolic scenarios, for VOCs in the evaluation dataset.
24 h Area under the curve (mg/L-h)
Chemicals
Metabolic scenarioa
LMCI
UMCI
Bromoform
2.122
0.267
0.434
0.328
Dibromochloromethane
3.114
0.45
0.7
0.527
Dichloroethylene (trans-1,2-)
0.472
0.149
0.185
0.16
Ethylene
Furan
0.388
0.113
0.131
0.118
Halothane
0.523
0.22
0.325
0.266
Propylene
Tetrachloroethylene
0.953
0.266
0.363
0.291
Trichloroethane (1,1,1-)
0.271
0.125
0.184
0.15
Trimethylbenzene (1,2,4-)
1.577
0.249
0.425
0.395
Xylene (o-)
1.297
0.218
0.325
0.248
a: : no metabolism; : maximum hepatic extraction; LMCI and UMCI: lower and upper bound of the 95% mean confidence interval, respectively.