Department of Chemistry and Industrial Chemistry, University of Genoa, Genoa, Italy.
UCD School of Biosystems and Food Engineering, UCD, Belfield, Dublin, Ireland.
Crit Rev Anal Chem. 2022;52(5):1015-1028. doi: 10.1080/10408347.2020.1848517. Epub 2020 Dec 1.
Inside the world of chemometrics, a fundamental role is played by the experimental design. Although introduced almost a century ago (1935), it is still not widely employed by chemists and its usefulness continues to be underestimated. When asking why, the answers are often the following: it is too difficult to apply and too much experimental effort is required. Actually, a deeper knowledge on the topic could offer a different point of view. The aim of the present tutorial is to introduce the experimental design to beginners, by providing the theoretical basic principles as well as a practical guide to use the most common designs, from the experimental plan to the final optimization. Response surface methodology will be discussed, and the main terms related to model computation and statistical evaluations usually performed by software will be explained, in order to give suitable tools to properly use them.
在化学计量学领域，实验设计起着至关重要的作用。尽管实验设计早在近一个世纪前（1935 年）就已被提出，但它在化学家中的应用仍不够广泛，其重要性也被低估。当被问及原因时，答案往往是：它太难应用了，需要花费太多的实验精力。实际上，对该主题有更深入的了解可能会提供不同的观点。本教程的目的是向初学者介绍实验设计，提供理论基本原则以及实用指南，以帮助初学者从实验计划到最终优化，使用最常见的设计。将讨论响应面法，并解释与模型计算和软件通常执行的统计评估相关的主要术语，以便提供适当的工具以正确使用它们。
