基于拉曼光谱的改进投影算法快速鉴别药品

投影算法常用于混合物分析中确定灰色体系是否存在未知干扰，而在用于药品鉴别时，由于其判定标准不充分，故不能同时准确鉴别不同药品和相似药品。提出将投影算法的判定标准(待测物质光谱的量测误差大小是否在限定水平)改进为待测物质光谱与标准物质光谱的量测误差大小水平是否相当、量测误差分布是否相近。将改进投影算法与未经改进投影算法用于六种(拜耳阿司匹林肠溶片、泰诺对乙酰氨基酚缓释片、拜耳复方对乙酰氨基酚片Ⅱ、华中复合维生素C片、华中维生素B片、吗丁啉多潘立酮片)不同药品的鉴别以及三种相似药品(拜耳阿司匹林肠溶片、上海信宜药阿司匹林肠溶片、巴米尔阿司匹林泡腾片)的区分，实验结果表明改进投影算法实现了不同药品的准确鉴别及相似药品的准确区分，准确率均高达100%，有望发展成为普适，可靠的自动化药品识别算法，并为基于拉曼光谱的物质识别算法研究提供参考依据。

Fast Discrimination of Drugs by Improved Projection Algorithm Based on Raman Spectroscopy

The projection algorithm used in mixture analysis to determine whether there is unknown disturbance existing in grey system can not accurately identify different samples and similar samples at the same time when it is used in the identification of drugs, because of the insufficient criteria. In the present study, one of its criteria for whether the size of measurement error of testing sample is at a limited level is improved for whether the size and distribution of measurement error is equal and similar between testing sample and standard sample. By testing 6 kinds of normal drugs(including BAYER Aspirin Enteric-coated Tablets, TYLENOL Acetaminophen Sustained Release Tablets, BAYER Compound Paracetamol Tablets(Ⅱ), HUAZHONG Compound Vitamin C, HUAZHONG Vitamin B and MADINGLIN Demperidone Tablets) and 3 kinds of similar drugs of aspirin(including BAYER Aspirin Enteric-coated Tablets, Shanghai SINE Aspirin Enteric-coated Tablets and Bamyl Aspirin Effervescent Tablets), it was found that the un-improved projection algorithm directly used in discrimination of drugs shows poor performance with many problems existing, however, the improved projection algorithm can discriminate different drugs and similar drugs with accuracy up to 100%. The improved projection algorithm can be a universal, accurate and reliable automated pharmaceutical identification algorithm and can provide a reference for the study on identification of substance.