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 2

Experimental and predicted values of log 𝐶𝐿_int for 26 VOCs. The horizontal bars represent the QPPR predicted LMCI and UMCI, the symbols represent the experimental data. 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.