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Structural basis of the induction of unscheduled DNA synthesis in rat hepatocytes
Y P Zhang1, A Van Praagh, G Klopman
1Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh, PA 15261.
Abstract:
The structural basis of the induction of unscheduled DNA synthesis (UDS) in isolated rat hepatocytes was studied with CASE, an expert system. The analysis identified a number of structural determinants associated with the induction of UDS. These structures accounted for 97.3% of the activity of the chemicals in the database. Further analyses indicated that the concordance between prediction and experimentally determined UDS of molecules not in the learning set is > 82%. A comparison of predictions of UDS and mutagenicity in Salmonella indicated that there is a dichotomy between these activities. The basis of this lack of coincidence remains to be elucidated.