Structural basis of the induction of unscheduled DNA synthesis in rat hepatocytes.
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.
Zhang
Y P
YP
Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh, PA 15261.
Van Praagh
A
A
Klopman
G
G
Rosenkranz
H S
HS
D000818:Animals; D016009:Chi-Square Distribution; D004247:DNA / Q000096:biosynthesis*; D004249:DNA Damage; D004260:DNA Repair; D016208:Databases, Factual; D005103:Expert Systems; D008099:Liver / Q000166:cytology / Q000187:drug effects; D008956:Models, Chemical; D008957:Models, Genetic; D009153:Mutagens / Q000737:chemistry*; D011237:Predictive Value of Tests; D051381:Rats; D013329:Structure-Activity Relationship
D009153:Mutagens; D004247:DNA