title: Structural basis of the induction of unscheduled DNA synthesis in rat hepatocytes.
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.
authors.affiliation: Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh, PA 15261.
authors.forename: Y P
authors.initials: YP
authors.lastname: Zhang
authors.forename: A
authors.initials: A
authors.lastname: Van Praagh
authors.forename: G
authors.initials: G
authors.lastname: Klopman
authors.forename: H S
authors.initials: HS
authors.lastname: Rosenkranz
mesh_terms: 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
chemical_list: D009153:Mutagens; D004247:DNA