Received February 24, 1992,Revised , Accepted , Available online

Volume 4,1992,Pages 106-115

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A knowledge-based system approach has been suggested to study the relationships between,molecular structures and mutagenicities of nitrated polycyclic aromatic hydrocarbons.A series of feature molecular structure descriptors on which the mutagenicities depend closely have been selected by using classic pattern recognition method.Then the feature descriptors are input in an expert system“shell”EXSYS,to build a simple mutagenicity classification model based on decision rules.Basing upon four classes of activities,the direct-acting mutagenicities in Salmonella Typhimurium TA98 of 80 nitrated PAHs are distinguished one by one,and the correct recognition rate can reach up to 091.This result is better than what was obmined by only using the pattern recognition method based upon two classes.

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