Aquatic toxicity is a crucial endpoint for evaluating chemically adverse effects on ecosystems. Increasing industrialization is the potential cause for aquatic toxicity as it introduces harmful effluent to the river or sea or other fresh water system. Some chemical substances have the potential to enter the coastal and marine environment and cause adverse effects on ecosystems, bioavailability, and human health. Therefore, we have developed quantitative structure-activity relationship (QSAR)models for various individual and mixture data sets for the prediction of the aquatic toxicity. QSAR models can be used to aid testing prioritization of the thousands of chemical substances for which no ecological toxicity data is available. This QSAR models to predict two types of end points: acute LC50 and points of departure similar to the NOEC models.