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KMID : 1059519870310020153
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Journal of the Korean Chemical Society
1987 Volume.31 No. 2 p.153 ~ p.161
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The Theoretical Studies for the " Bay Region " of Certain Carcinogenic Benzenoid Hydrocarbons Using the Molecular Connectivity (Ⅱ)
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Kim Ui-Rak
Eun Jong-Guk
Lee Myung-Jae
Kim Sang-Hae
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Abstract
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The carcinogenicity of benzenoid hydrocarbons apparently depends strongly on the topological nature of the molecule. The existance of certain regions in the structure which are known propensity of benzenoid hydrocarbons to be carcinogenic. We try to identify the correlation between the number of potentially carcinogenic bay region in each of them and the quantity of Molecular Connectivity Index for 81 benzenoid hydrocarbons. Results indicate an excellent linear correlation between the number of bay region and the quantity of molecular connectivity index except the molecular containing single bond in their structure.
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