Table 2 Comparison of model performances of PLS with sevenfold cross-validation among models built on metabolites markers (M), clinical markers (C) or combination of metabolite and clinical markers (C + M).

From: Untargeted metabolomics reveals plasma metabolites predictive of ectopic fat in pancreas and liver as assessed by magnetic resonance imaging: the TOFI_Asia study

Dataset

Biomarker panel

nComp

R2Y

Q2

PCV-ANOVA

RMSEE

RMSEcv

r

Pancreatic fat

M

3

0.81

0.69

2.12E–12

0.72

0.89

0.90

 

C

1

0.51

0.46

1.15E–08

1.14

1.18

0.71

 

C + M

3

0.81

0.67

1.12E–11

0.72

0.92

0.90

Liver fat

M

3

0.80

0.66

6.11E–12

3.84

4.65

0.89

 

C

1

0.48

0.40

3.51E–07

5.98

6.37

0.70

 

C + M

2

0.74

0.63

5.49E–12

4.25

4.94

0.86

VAT/SAT

M

2

0.70

0.62

1.88E–12

0.13

0.14

0.83

 

C

2

0.56

0.44

1.42E–07

0.16

0.17

0.74

 

C + M

2

0.74

0.67

3.98E-14

0.12

0.13

0.86

  1. nComp: number of components; RMSEE: roo mean square error of estimation; RMSEcv: root mean square error of cross-validation; r: Pearson correlation coefficient.