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化学计量学在我国的发展
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摘 要 评述了化学计量学在我国近年来的发展,包括多元校正与分辨、稳健方法、化学模式识别、化学定量构效关系、分子模拟与优化、化学专家系统与数据库等主要分支,其中特别对近年来得到飞速发展的新技术如高维数据解析方法、人工神经网络、小波变换给出了较详细的介绍。 关键词 化学计量学 发展 中国 abstract recent development of chemometrics in china is reviewed in this paper,which includes multivariate calibration and resolution,robust methods,chemical pattern recognition,quantitative structure-activity relationship (qsar),molecular modeling and optimization,chemical expert systems and databases.the new techniques recently developed in chemometrics,such as analysis methods for high-dimensional data,artificial neural networks,and wavelet transformation technique,are specially addressed.
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