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

作　　者：李新明[1] 宋鸿[1] 李维良[1] 薛维政 

机构地区：[1]中国科学院大连化学物理研究所,大连116012 [2]辽宁省商检局

出　　处：《分析化学》1995年第12期1409-1413,共5页Chinese Journal of Analytical Chemistry

基　　金：国家自然科学基金资助课题

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%.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 人工智能 

分 类 号：O657.6[理学—分析化学]