The structure-activity relationship of skin carcinogenicity of aromatic hydrocarbons and heterocycles. |
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Authors: | L Zhang K Sannes A J Shusterman C Hansch |
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Institution: | Department of Chemistry, Pomona College, Claremont, CA 91711-6338. |
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Abstract: | From a study of 239 aromatic and heteroaromatic compounds causing skin cancer in mice, a quantitative structure-activity relationship has been derived. Carcinogenicity depends heavily on the relative hydrophobicity of the chemicals as defined by octanol/water partition coefficients (log P). It is also correlated with the energy of the highest occupied molecular orbital and the presence of substituents on the L and K regions of the carcinogen. The results are discussed in terms of the bay region concept for carcinogenic activity. |
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