Using an interpolation-based method (IDV) to predict the combined toxicities of hormetic ionic liquids.

In the field of computational toxicology, predicting toxicological interaction or hormesis effect of a mixture from individuals is still a challenge. The two most frequently used model concentration addition (CA) and independent action (IA) also cannot solve these challenges perfectly. In this paper, we used IDV (an interpolation method based on the Delaunay triangulation and Voronoi tessellation as well as the training set of direct equipartition ray design (EquRay) mixtures) to predict the toxicities of binary mixtures composed of hormetic ionic liquids (ILs). One of the purposes is to verify the predictive ability of IDV. The other one is to improve the risk assessment of ILs mixtures especial hormetic ILs, because the toxicity reports of ILs mixtures are rarely reported in particular the toxicity of the hormetic ILs mixtures. Hence, we determined time-dependent toxicities of four ILs and their binary mixtures (designed by EquRay) to Vibrio qinghaiensis sp.-Q67 at first. Then, mixture toxicities were predicted and compared using the IDV and CA. The results show that, the accuracy of IDV is higher than the accuracy of CA. And, more important, to some mixtures out of the CA application, IDV also can predict the mixture effects accurately. It showed that IDV can be applied to predict the toxicity of any binary mixture regardless of the type of concentration-response curve of the components. These toxicity data provided useful information for researching the prediction of hormesis or toxicological interaction of the mixture and toxicities of ILs mixtures.