ABSTRACT

Quantitative structure–activity relationship (QSAR) models are increasingly used in toxicology, ecotoxicology, and pharmacology for predicting the activity of organic molecules from their physicochemical properties and/or their structural characteristics. The available congeneric and noncongeneric QSAR models used to estimate the acute toxicity of pesticides to honey bees were critically analyzed. From the available data, new models were also computed from linear and nonlinear methods for comparison purposes. Generally, these models provided better prediction results than those published in the literature. The advantages and limitations of these modeling tools are discussed.