Since the most successful QSARs have separated toxicants by their mechanism of toxic action, improvement in the ability to predict toxic potency will require the ability to select the correct mechanism of toxic action from molecular structure and the development of higher quality multi-parameter QSARs for those mechanisms.
Regression analysis is conducted to develop toxic potency QSARs.
Computer-assisted structural evaluation is conducted to identify toxicophores. Schultz, T.W. and Cronin, M.T.D. 1997. QSARs for weak acid respiratory uncouplers to ibrio fisheri.