Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (11): 1027-1030.doi: 10.3866/PKU.WHXB19961115
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Guo Ming,Xu Lu
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Abstract:
In this paper, the molecular connectivity indices and the electronic charge parameters of forty-eight phenol compounds nave been calculated. and applied for studying the relationship between partition coefficients and structure of phenol compounds. The results demonstrate that the properties of compounds can be described better with selective parameters, and the results obtained by neural network are superior to that by multiplle regression.
Key words: Topological indices, Quantitative structure-activity/property relationship, Phenols
Guo Ming,Xu Lu. Study on Phenol Compounds Using Multiple Regression and Neural Network Methods[J].Acta Phys. -Chim. Sin., 1996, 12(11): 1027-1030.
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URL: http://www.whxb.pku.edu.cn/EN/10.3866/PKU.WHXB19961115
http://www.whxb.pku.edu.cn/EN/Y1996/V12/I11/1027
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