摘要
本文利用一组七元素分子路径指数矢量(VPM),采用L-MBP神经网络模型研究了烷烃核磁共振谱化学位移和的定量构谱关系(QSSR)。所建立的网络模型用于未知烷烃化学位移和的预测,结果良好。
In this paper, seven molecular path index vectors(VPM) were used in the studies of quantitative struture-spectra relationship of alkanes' chimical shift sum(CSS) by using L-M BP neural network. The established neural network model was used in the prediction of the CSS unknown alkanes with satisfying results.
出处
《安庆师范学院学报（自然科学版）》
2003年第4期11-13,共3页
Journal of Anqing Teachers College(Natural Science Edition)
