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有机质谱人工智能解释——Z值二级族分类及在环境污染物质谱解释中的应用
Artificial Intelligence Interpretation of Organic Mass Spectra-Two Level Group Classification With Z_i/Z_T Value and Its Application in Environmental Pollution Compounds
【摘要】 本文叙述了环境污染物质谱人工智能解释计算机程序“DCP-AIMS-EP”.程序不仅基于质谱规则,而且基于依Z_i/Z_r值二级族分类构成的新型质谱知识库框架.程序在IBM486计算机上调试通过,并经225个环境污染物质谱和81个“非环境污染物”质谱验证评价,输出正确率达99.3%,置信度达95.3%.
【Abstract】 A computer program DCP-AIMS-EP on artificial intelligence (AI) interpretation of mass Spectra of environmental pollution (EP) compounds is described. It is based not only on the mass spectral rules, but on a new type mass spectral knowledge base frame of two level group classification with Zi/ZT value. The program was debugged, verified and evaluated for 225 mass Spectra of EP compounds and 81 mass spectra of "non-EP compounds" on IBM 486 computer. The correct rate of program output was 99. 3%, and the confidence was 95.3%.
【关键词】 环境污染物质;
质谱分析;
人工智能;
【Key words】 Environmental pollution compounds; mass spectrometric analysis; artificial intelligence;
【Key words】 Environmental pollution compounds; mass spectrometric analysis; artificial intelligence;
【基金】 国家自然科学基金资助课题
- 【文献出处】 分析化学 ,Chinese Journal of Analytieal Chemistry , 编辑部邮箱 ,1995年12期
- 【分类号】O657.63
- 【下载频次】63