ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Statistical correlations have been examined between two experimental carcinogenicity indices, a mutagenicity index, and several theoretical reactivity indices for a sample of polycyclic aromatic hydrocarbons displaying a considerable range of carcinogenic activities. Salmonella/microsome mutagenicity assay results show no quantitative correlation with either lball indices (r = 0.08) or a mouse-skin tumor index (r = -0.11) for this sample, whereas the two carcinogenicity indices show reasonable agreement (r = 0.84). The theoretical indices, which represent chemical reactivities for several putative carcinogenic “activation” steps, correlate with the cancer indices ( r ∼ 0.6-0.9). but not the mutagenicity index, suggesting a usefulness in cancer prescreening procedures. Similar results are found for a sample of 24 unsubstituted aromatic hydrocarbons. Available hamster V79 cell assay results show good correlations with the carcinogenicity indices (r = 0.87-0.99).
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560200736
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