Prediction of HC5s for phthalate esters by use of the QSAR–ICE model and ecological risk assessment in Chinese surface waters

Due to their endocrine-disrupting effects and the risks posed in surface waters, in particular by chronic low-dose exposure to aquatic organisms, phthalate esters (PAEs) have received significant attention. However, most assessments of risks posed by PAEs were performed at a selection level, and thus limited by empirical data on toxic effects and potencies. A quantitative structure activity relationship (QSAR) and interspecies correlation estimation (ICE) model was constructed to estimate hazardous concentrations (HCs) of selected PAEs to aquatic organisms, then they were used to conduct a multiple-level environmental risk assessment for PAEs in surface waters of China. Values of hazardous concentration for 5% of species (HC