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

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作者
Svante Wold
出处
期刊:Chemometrics and Intelligent Laboratory Systems [Elsevier]
卷期号:30 (1): 109-115 被引量:249
标识
DOI:10.1016/0169-7439(95)00042-9
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).
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