Research Article
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 7
Reliability analysis for the chemicals in the QPPR evaluation dataset.
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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 (i.e., ) to that setting (i.e., ). b Calculated as the ratio of the predicted to the experimental values of . |