摘要
采用分子电性距离矢量(MEDV)表征地笋中挥发油化学成分的分子结构,并对其气相色谱保留时间进行了系统的定量结构-色谱保留关系(QSRR)研究。在变量筛选的基础上建立了多个挥发油化学成分QSRR模型,相关系数均在0.90以上。通过严格的统计检验表明所建模型具有良好的稳定性与预测能力。
The molecular electronegativity-distance vector （MEDV） was used to describe the chemical structure of components of volatile oil, and their gas chromatographic retention indices for the quantitative structure-retention relationship （QSRR） were studied. Chemical constituents of volatile oil QSRR model variated screening were established on the base of the variate variable.The correlation coefficients were move than 0.90. Through a rigorous statistical tests,the results show that the models can provide estimation stability and favorable predictive ability.
出处
《化学分析计量》
CAS
2007年第5期23-25,共3页
Chemical Analysis And Meterage
基金
国家"春晖计划"教育部启动基金(批准号:99-4-4+37:99-4-4+99-3-7)
霍英东基金(1998-7-6)
关键词
分子结构表征
分子电性距离矢量
定量结构-保留关系
molecular structure characterization, molecular electronegativity-distance vector （MEDV）, quantitative structure-retention relationship
