Enslein, K. H., H. Borgstedt, B. W. Blake, and J. B. Hart. Prediction of Rabbit Skin Irritation Severity by Structure-Activity Relationships. In Vitro Toxicol. 1987. 1(2): 129-147.

A set of structure-activity equations (SAR) has been developed to permit estimation of the severity of rabbit skin irritation (Draize) from chemical structure. The equations use molecular connectivity indexes, substructural keys and molecular length parameters as descriptors. The equations are based on essentially all the publicly available skin irritation data. Separate models were developed for compounds containing rings (N=526), and those without rings (N=260). The classification accuracy of the models ranges between 90 and 95%. The equations have been implemented in TOPKAT, a software package for personal computers.