Abstract
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.
Acknowledgment
This study was supported by the Polish Ministry of Science and Informatics (grant no. KBN 1128/T09/2003/24). Computations were carried out using computers in TASK—Academic Computer Center in Gdańsk.