Computational Prediction of 7-Ethoxyresorufin-O-Diethylase (EROD) and Luciferase (luc) Inducing Potency for 75 Congeners of Chloronaphthalene.

Based on available toxicological data and matrix of structural descriptors 7-ethoxyresorufin-O-diethylase (EROD) and luciferase (luc) inducing potency for 75 congeners of chloronaphthalene was predicted using quantitative structure– activity relationships (QSAR) strategy. The most active congeners in EROD and luciferase bioassays were CN congeners nos. 75 and 67. Some empirical rules describing toxic PCNs were formulated. [ABSTRACT FROM AUTHOR]