Chemometrics; What do we mean with it, and what do we want from it?

被引:177
|
作者
Wold, S
机构
[1] Institute of Chemistry, Umeå University
关键词
chemometrics; design; multivariate analysis; statistics;
D O I
10.1016/0169-7439(95)00042-9
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
What we mean with chemometrics is closely connected to what we want from it, our idealized view of chemistry, data, statistics, models, and what not. Personally, I have a fairly clear opinion of what I mean with, and what I want chemometrics to be. Of course, this view is based on my experience in academic and industrial chemistry, and I shall here try to explain these views, and the chemical and practical reasons (rationalizations) thereof. These views may seem somewhat provocative, but this is not the objective. I just want to make us reflect on what we, as chemometricians, are doing. My views will be focussed on the role of chemometrics in chemistry, on how I see statistics as partly consistent, and partly inconsistent with the framework of chemistry, and where we should aim for the future (of chemometrics).
引用
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页码:109 / 115
页数:7
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