A new approach to the description of quantitative structure-activity relationships (QSAR analysis) based on compound descriptors has been used. The effect of the structural characteristics of nitric compounds on their carcinogenicity has been studied. It has been found that the carcinogenicity of nitric compounds is determined by the presence of furyl and/or azole heterocycles not condensed with benzene rings in their molecular structures. The carcinogenicity of the nitric compounds in which the benzene ring is the basic structure is determined by the presence of other substituents (halogens, amines, and methyl groups) and their positions relative to the nitro group.
Russian Journal of Genetics – Springer Journals
Published: May 17, 2006
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