Prediction of mixture toxicity with its total hydrophobicity

Abstract

Based on the C 18 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 r 2=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.