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Mutagenesis vol. 8 no. 3 pp. 257-264, 1993
© 1993 UK Environmental Mutagen Society/Oxford University Press

research-article

An approach for evaluating and increasing the informational content of mutagenicity and clastogenicity data bases

Noriyuki Takihi, Ying Ping Zhang, Gilles Klopman1 and Herbert S. Rosenkranz

Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh Pittsburgh, PA 15261 1Department of Chemistry, Case Western Reserve University Cleveland, OH 44106 USA

A method is described for using the fragments identified by the CASE structure-activity relational expert system to identify the type of chemicals that require further testing in mutagenicity and clastogenicity assays. Inclusion of such chemicals will increase the informational content of databases with respect to structural features that are under-represented in currently available data bases. The method is applied to existing databases (mutagenicity in Salmonella, chromosomal aberrations in Chinese hamster ovary cells, unscheduled DNA synthesis hi rat hepatocytes, in vivo induction of micronuclei, somatic mutations in Drosophila melanogaster) to identify structural determinants that are absent.


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