Chem. J. Chinese Universities ›› 1995, Vol. 16 ›› Issue (9): 1371.
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XU Lu, YAO Yu-Yuan
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Abstract: The electronic parameters of 12 N-nitroso compounds have been computated with semiempirical quantum chemical calculation, and the study on the relationships between the structures of these compounds and the carcinogenic activities have been performed by using multivariate regression analysis and neural network with satisfactory results.
Key words: N-Nitroso compounds, Semiempirical quantum chemical calculation, Structureactivity relationship
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XU Lu, YAO Yu-Yuan . Studies on Structure-Carcinogenic Activity Relationship of N-Nitroso Compounds[J]. Chem. J. Chinese Universities, 1995, 16(9): 1371.
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URL: http://www.cjcu.jlu.edu.cn/EN/
http://www.cjcu.jlu.edu.cn/EN/Y1995/V16/I9/1371
