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数据挖掘是一门新兴的极具创新性的学科,在许多领域具有广泛的应用,在化学计量学领域的应用也越来越受到人们的重视。本文将数据挖掘技术应用于核磁共振谱的研究,通过相应的挖掘方法将核磁共振谱与有机化合物结构间的关系,表示为特征范围——子结构之间的关联规则,并给出相应的挖掘算法。
Data mining is a new and extremely innovative discipline with many applications in many fields. It has drawn more and more attention in the field of chemometrics. In this paper, data mining technology is applied to the study of nuclear magnetic resonance spectroscopy. The relationship between the nuclear magnetic resonance spectrum and the structure of organic compounds is expressed by the corresponding excavation method as the association rule between the characteristic range and substructure, and the corresponding excavation algorithm.