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Life Science Division, Korea Institute of Science and Technology, Seoul 130-650, KoreaReceived July 22, 2004Mutagen X (MX) exists in our drinking water as the bi-products of chlorine disinfection. Being one of the mostpotent mutagen, it attracted much attention from many researchers. MX and its analogs are synthesized andmodeled by quantitative structure activity relationship (QSAR) methods. As a result, factors affecting this classof compounds have been found to be steric and electrostatic effects. We tried to collect all the data availablefrom the literature. With both CoMFA and CoMSIA various combinations of physiochemical parameters weresystematically studied to produce reasonable 3-dimensional models. The best model for CoMFA gaveq

Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA) Study of Mutagen X