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Chemometrics in analytical chemistry—part II: modeling, validation, and applications
Analytical and Bioanalytical Chemistry ( IF 3.8 ) Pub Date : 2018-08-02 , DOI: 10.1007/s00216-018-1283-4
Richard G. Brereton , Jeroen Jansen , João Lopes , Federico Marini , Alexey Pomerantsev , Oxana Rodionova , Jean Michel Roger , Beata Walczak , Romà Tauler

The contribution of chemometrics to important stages throughout the entire analytical process such as experimental design, sampling, and explorative data analysis, including data pretreatment and fusion, was described in the first part of the tutorial “Chemometrics in analytical chemistry.” This is the second part of a tutorial article on chemometrics which is devoted to the supervised modeling of multivariate chemical data, i.e., to the building of calibration and discrimination models, their quantitative validation, and their successful applications in different scientific fields. This tutorial provides an overview of the popularity of chemometrics in analytical chemistry.



中文翻译:

分析化学中的化学计量学-第二部分:建模,验证和应用

化学计量学对整个分析过程中重要阶段的贡献,例如实验设计,采样和探索性数据分析,包括数据预处理和融合,在教程“分析化学中的化学计量学”的第一部分中进行了描述。这是有关化学计量学的教程文章的第二部分,该文章致力于多元化学数据的监督建模,即,建立校准和鉴别模型,定量验证以及它们在不同科学领域的成功应用。本教程概述了化学计量学在分析化学中的受欢迎程度。

更新日期:2018-08-02
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