Lexikon

QSAR is the relationship between the physical andor chemical properties of a substance and their ability to cause a particular effect. In practice QSARs are mathematical models used to predict the properties (Kow, partition between phases, biodegradability, bioccumulative potential, toxicity, etc.) of substances from their molecular structure. The goal of QSAR studies in toxicology is to develop whereby the toxicity of a substance can be predicted from its chemical structure by analogy with the properties of other toxic substances of known structure and toxic properties.