酚类化合物的多元回归分析及神经网络法研究

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.