Novel QSAR Models for Predicting Toxicity of Chemicals to Aquatic Organisms and Identifying the Mode of Action

This poster presents the application of recently introduced GALAS modeling methodology for estimating toxicity of chemicals to several aquatic species. Experimental data were expressed as median lethal concentration of test compound in water (LC50) and the data set contained 904 LC50 values for fishes (Pimephales promelas) and 589 LC50 values for crustaceans (Daphnia magna). The utilized modelling approach was validated by applying the same principles to develop a predictive model for IGC50 (50% inhibitory growth concentration) to protozoan Tetrahymena pyriformis.