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Can We Trust Score Plots?
Metabolites ( IF 4.1 ) Pub Date : 2020-07-08 , DOI: 10.3390/metabo10070278
Marta Bevilacqua 1 , Rasmus Bro 1
Affiliation  

In this paper, we discuss the validity of using score plots of component models such as partial least squares regression, especially when these models are used for building classification models, and models derived from partial least squares regression for discriminant analysis (PLS-DA). Using examples and simulations, it is shown that the currently accepted practice of showing score plots from calibration models may give misleading interpretations. It is suggested and shown that the problem can be solved by replacing the currently used calibrated score plots with cross-validated score plots.

中文翻译:

我们可以信任计分图吗?

在本文中,我们讨论了使用分量模型(例如偏最小二乘回归)的得分图的有效性,尤其是当这些模型用于构建分类模型以及从偏最小二乘回归派生的用于判别分析的模型时(PLS-DA)。使用示例和模拟表明,当前接受的显示校准模型得分图的做法可能会产生误导性的解释。建议并表明,可以通过用交叉验证的分数图代替当前使用的校准分数图来解决该问题。
更新日期:2020-07-08
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