烷烃化学位移和与分子路径指数矢量定量构谱关系的研究 |
| |
引用本文: | 王元,何池洋.烷烃化学位移和与分子路径指数矢量定量构谱关系的研究[J].安庆师范学院学报(自然科学版),2003,9(4):11-13. |
| |
作者姓名: | 王元 何池洋 |
| |
作者单位: | 安庆师范学院,化学系,安徽,安庆,246011 |
| |
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。
|
关 键 词: | 烷烃 化学位移和 定量构谱关系 人工神经网络 |
文章编号: | 1007-4260(2003)04-0011-03 |
Studies of Quantitative Structure-Spectra Relationship between Chemical Shift Sum and Molecular Path Index Vector in Alkanes |
| |
Abstract: | 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. |
| |
Keywords: | Alkanes chemical shiftsum quantitative structure-spectrarelationship artificial neutalnetwork |
本文献已被 CNKI 维普 万方数据 等数据库收录! |
|