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

Figure 3

24 h simulation of the venous blood concentration following inhalation exposure to 1 ppm, 8 h for 26 volatile organic compounds considering maximum and minimum (bold lines) and QPPR-based hepatic extraction (grey area). (a) 1,1,1,2-Tetrachloroethane; (b) 1,1,2,2-tetrachloroethane; (c) 1,1,2-trichloroethane; (d) 1,1-dichloroethane; (e) 1,1-dichloroethylene; (f) 1,2-dichloroethane; (g) 1,2-dichloroethylene (cis-); (h) benzene; (i) bromochloromethane; (j) bromodichloromethane; (k) carbon tetrachloride; (l) chloroethane; (m) chloroform; (n) dibromomethane; (o) dichloromethane; (p) ethylbenzene; (q) hexachloroethane; (r) isoprene; (s) methyl chloride; (t) m-xylene; (u) n-hexane; (v) pentachloroethane; (w) styrene; (x) toluene; (y) trichloroethylene; (z) vinyl chloride.

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