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专家系统ESSESA的红外光谱分析程序利用红外光谱解析知识库,对化合物的红外光谱进行逻辑推理、分析,得到子结构约束。程序能推出的子结构86类共229个,比同类系统的知识库大。分析谱图之前对化合物的分子组成进行分析,利用不饱和度和组成条件加强推理分析的效果和速度。分析谱图时,只考虑吸收峰的位置,极弱的吸收峰以及在有的化合物谱中吸收不显著的峰不纳入知识库的规则中。
The expert system ESSESA infrared spectroscopy analysis program uses infrared spectroscopy to analyze the knowledge base, the compound infrared spectroscopy logic reasoning, analysis, substructure constraints. A total of 229 sub-structure 86 sub-structures were introduced, which is larger than the knowledge base of similar systems. Analyze the molecular composition of compounds before analyzing the spectra and use the unsaturation and compositional conditions to enhance the effect and speed of inferential analysis. When analyzing the spectrum, consider only the location of the absorption peak, the extremely weak absorption peak, and the peak that the absorption is not significant in the spectrum of some compounds is not included in the rule of knowledge base.