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拓扑指数多元校正法预测气相色谱保留值
CALCULATION OF GAS CHROMATOGRAPHIC RETENTION INDICES WITH TOPOLOGICAL INDICES BY MULTIPLE LINEAR REGRESSION
【摘要】 Aml、Xz 和1X 3种拓扑指数与 18种非同系物烃类在 3种固定液上的气相色谱保留指数的关联结果表明 :多元校正法可比常规一元校正法得到更好的相关关系 ,三元校正法可使回归方程的相关系数达 0 .9912以上 ,预测时的计算误差低于 1.5 1% ,对于非同系物烃类的色谱保留值的预测 ,能满足一般预测要求
【Abstract】 The correlative relationship between three topological indices( A m1 ,X z and 1X ) and gas chromatographic retention indices of some hydrocarbon compounds was studied.The correlative relationship could be improved by combining two of those topological indices.Correlative coefficient over 0.991 2 and calculation deviation under 1.51% could be obtained by multiple linear regression.
【关键词】 拓扑指数;
保留指数;
多元校正;
【Key words】 topological indices; retention indices; multiple linear regression;
【Key words】 topological indices; retention indices; multiple linear regression;
- 【文献出处】 常德师范学院学报(自然科学版) ,Journal of Changde Teachers University , 编辑部邮箱 ,2001年02期
- 【分类号】O651
- 【被引频次】4
- 【下载频次】38