牻牛儿苗科11种中药材红外光谱鉴定及聚类分析

结合傅里叶变换红外光谱技术与聚类分析法，建立牻牛儿苗科11种中药材的快速鉴别方法。采用傅里叶变换红外光谱法鉴别牻牛儿苗科11种中药材;在建立主成分分析模型的基础上，采用SIMCA聚类分析法对三种中药材进行了快速的分类研究。红外光谱结合聚类分析技术对牻牛儿苗科中药材聚类结果较理想，识别率和拒绝率达到98%以上，盲样的预测率达到91%。红外光谱与聚类分析法相结合可以快速、无损识别牻牛儿苗科中药材。

Discrimination of Eleven Genera of Chinese Herbs in Geraniaceae by FTIR Spectroscopy and Clustering Analysis

A fast identification method of eleven genera of Chinese herbs in geraniaceae was developed by the combination of Fourier transform infrared spectroscopy with clustering analysis. FTIR spectroscopy was employed to identify and analyze eleven genera of Chinese herbs in geraniaceae. On the basis of a principal component analysis (PCA) model, three genera of Chinese herbs were rapidly classified by using the method of SIMCA clustering analysis. These samples could be successfully classified by SIMCA. Recognition rate and rejection rate reached up to 98%. The accuracy of clustering reached up to 91% during blind sample testing. It is concluded that in combination with clustering analysis，FTIR method provides an effective way to rapidly evaluate Chinese herbs in Geraniaceae.