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Table 3 The selected metabolites by both multi-TGDR frameworks (the results of model 1_w and model 2_w)

From: Multi-TGDR, a multi-class regularization method, identifies the metabolic profiles of hepatocellular carcinoma and cirrhosis infected with hepatitis B or hepatitis C virus

type

mz

RT (min)

β_Cirrhosis

β_HCC

β_Cirrhosis

β_HCC

Metabolites

   

Multi-TGDR global

Multi-TGDR local

 

All

191.04

0.64

0.6521

-0.6011

0.7437

-0.4971

Beta-Lactose

 

240.08

14.79

-0.2734

0.2258

-0.2842

0.0267

1,1′-Ethylidenebistryptophan or 1-aminopyrene

 

582.24

22.42

-0.4816

0.2596

-0.4854

0.1428

Glutaminyl-Methionine

Common

91.36

8.47

0.1937

-0.9035

0

-0.4716

Unknown

 

100.32

1.16

0.1965

-0.6931

0

-0.7513

Unknown*

 

101.32

1.16

0.1209

-0.4617

0

-0.4617

Unknown

 

139.1

8.65

0.1969

-0.4631

0

-0.4631

Phosphorylcholine

 

218.08

0.89

0.2614

-0.7598

0

-0.9121

Pregnenolone sulfate

 

255.96

1.07

0.041

0.2284

0

0.3122

Lsoxanthopterin

 

256.25

19.08

-0.358

0.9489

0

0.9761

Palmitic amide*

 

279.08

9.4

0.034

-0.3269

0

-0.4019

Homocarnosine

 

361.18

19.64

-0.0196

0.0538

0

0.1811

Unknown

 

540.51

23.17

0.0211

0.2882

0

0.2898

Unknown

 

599.25

9.78

0.5919

3.8635

0

4.1545

Unknown

 

239.14

14.47

-0.2198

0.0995

-0.3349

0

Phosphatidic acid

 

289.21

7.24

-0.1335

-0.0097

-0.1347

0

Neurosporene

 

356.37

15.91

0.3772

-0.0728

0.2259

0

Unknown

 

374.38

15.45

0.5133

0.0856

0.2179

0

Unknown

 

375.39

15.46

1.4191

0.1173

1.3393

0

Cholestanetriol or Unknown

 

402.42

17.55

0.2209

0.0424

0.4634

0

16(S)-hydroxy-18-oxo-18-CoA-LTE4

 

585.27

9.09

1.435

-0.1864

1.7132

0

Conjugated bilirubin*

 

587.27

9.09

0.3402

0.1137

0.2372

0

Conjugated bilirubin*

 

592.37

6.42

0.3208

-0.0508

0.5229

0

Unknown

 

633.25

10.31

-0.7011

0.4138

-0.7187

0

Unknown

 

652.41

4.19

1.2071

0.4634

1.4441

0

Ganglioside GM3 (d18:1/24:0) or Unknown

Global

181.08

8.6

-0.1244

0.0115

0

0

Alpha-Ketooctanoic acid

 

277.17

10.69

-0.1585

0.1796

0

0

Phosphatidylinositol or Lithocholate 3-O-glucuronide

 

312.37

18.9

-9.00E-04

-0.0819

0

0

Unknown

 

315.19

8.7

-0.1527

0.0978

0

0

3-Oxohexadecanoic acid

 

608.38

3.97

0.1159

0.0187

0

0

Unknown

Local

159

0.62

0

0

-0.158

0.1842

Glycolaldehyde

 

330.35

15.37

0

0

0.1697

0

Unknown*

 

634.26

10.31

0

0

-0.0769

0

Indoleacetyl glutamine

 

810.62

29.87

0

0

0

-0.1817

SM(d18:1/18:0)

  1. The normal controls serve as the reference. All: non-zeros in both comparisons and both versions; Common: selected by both versions, but being zero in one comparison by local; global: selected only by multi-TGDR global version; local: selected only by multi-TGDR local version. Model 1_w: the results of multi-TGDR global after bagging (BF > 40%); Model2_w: the results of multi-TGDR local after bagging (BF > 40%).
  2. Note: *the overlaps with the metabolites selected by PLS-DA.