QSAR in toxicology .4. Prediction of non-lethal mammalian toxicological endpoints, and expert systems for toxicity prediction

A critical review is given of quantitative and qualitative structure-activity relationships (QSAR) for the prediction of some non-lethal mammalian toxicological endpoints required for regulatory purposes. QSAR in these areas of toxicology, such as irritation and respiratory allergy, is hindered by a lack of quality in vivo toxicity data to model, and by the mechanisms of action not being fully understood. Much progress has been made though into the prediction of skin sensitisation. Commercially available expert systems based on QSAR for toxicity prediction are also described and evaluated critically. Generally it is considered although some systems are well advanced in particular areas, more work is required to make expert systems sufficiently accurate for reliable toxicity prediction.