Can We Trust Score Plots?
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Can We Trust Score Plots? / Bevilacqua, Marta; Bro, Rasmus.
In: Metabolites, Vol. 10, No. 7, 278, 2020.Research output: Contribution to journal › Journal article › peer-review
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TY - JOUR
T1 - Can We Trust Score Plots?
AU - Bevilacqua, Marta
AU - Bro, Rasmus
PY - 2020
Y1 - 2020
N2 - 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.
AB - 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.
U2 - 10.3390/metabo10070278
DO - 10.3390/metabo10070278
M3 - Journal article
C2 - 32650451
VL - 10
JO - Metabolites
JF - Metabolites
SN - 2218-1989
IS - 7
M1 - 278
ER -
ID: 244687297