酚类化合物的多元回归分析及神经网络法研究

被引:3
作者
郭明
许禄
机构
[1] 中国科学院长春应用化学研究所!长春,中国科学院长春应用化学研究所!长春
关键词
拓扑指数; 定量结构-活性/性质相关性; 酚类化合物;
D O I
暂无
中图分类号
O625 [芳香族化合物];
学科分类号
摘要
In this paper, the molecular connectivity indices and the electronic charge parameters of forty-eight phenol compounds nave been calculated.and applled 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.
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页码:0 / 0+0 +0-0
页数:4
相关论文
共 3 条
  • [1] Fletcher R. Comp.Jour . 1970
  • [2] Goldferb D. Mathematics of Computation . 1970
  • [3] Weigend A S,Huberman B A,Rumelhart D E. Int.J.Neural.Syst . 1990