QSAR in Toxicology. 1. Prediction of Aquatic Toxicity
M Cronin, John C. Dearden · Quantitative Structure-Activity Relationships · 1995
Abstract A critical review is given of quantitative and qualitative structure‐activity relationships (QSAR) for the prediction of some acute aquatic toxicological endpoints. Consideration is given to sources of biological data and, as in all areas of toxicology, there is concern over the validity, quality and quantity of toxicological data to model. Despite these problems it is now possible to predict the acute aquatic toxicity of unreactive chemicals to many species with considerable accuracy. Predictions for other mechanisms of toxic action become less accurate as more specific toxicities are investigated. Surprisingly little work has been performed on the prediction of toxicity of inorganic elements and their complexes, to both aquatic species and other organisms.