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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.