Due to the unique physical and chemical properties

ionic liquids (ILs) have shown great potential for industrial applications. However

their toxicity and potential environmental impact should be clearly understood. In this paper

five parameters selected by the heuristic method were used to study the minimum inhibitory concentration values of toxicity against E. coli based on the quantitative relationship between toxicity and structure of 40 kinds of imidazolium ionic liquids by using the quantitative structure-activity relationships (QSAR) method. Test set was used to conduct the external validation. This model with good reliability could be used to predict the toxicity of imidazolium-based ionic liquids.