Prediction of mixture toxicity with its total hydrophobicity.
Based on the C18 Empore disk/water partition coefficient of a mixture, quantitative structure-activity relationships (QSARs) are presented, which are used to predict the toxicity of mixed halogenated benzenes to P. phosphoreum. The predicted toxicity of 10 other related mixtures based on the QSAR model, agree well with the observed data with r2 = 0.973, SE = 0.113 and F = 287.785 at a level of significance P < 0.0001. The joint effect of these chemicals is simple similar action and the toxicity of the mixtures can be predicted from total hydrophobicity and is independent of hydrophobicity of the components or the ratio of the individual chemicals.
Lin
Zhifen
Z
State Key Laboratory of Pollution Control and Resources Reuse, School of the Environment, Nanjing University, People's Republic of China.
Yu
Hongxia
H
Wei
Dongbin
D
Wang
Gehui
G
Feng
Jianfang
J
Wang
Liansheng
L
D001419:Bacteria; D001555:Benzene Derivatives / Q000633:toxicity*; D005544:Forecasting; D006219:Halogens; D012995:Solubility; D013329:Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000633:toxicity*
D001555:Benzene Derivatives; D006219:Halogens; D014874:Water Pollutants, Chemical