Table 2.

Support Vector Machine Analysis of Metabolites

Groups Separated	Metabolite	Super-Pathway	Sub-Pathway	Fold Change	P Value	AUC
Plasma: control versus single	2-Hydroxyisobutyrate	Xenobiotics	Chemical	0.89	0.001	0.893
	Adrenate	Lipid	Long-chain fatty acid	0.74	0.03	0.970
	Fructose	Carbohydrate	Fructose, mannose, galactose, starch, and sucrose metabolism	1.21	0.46	0.998
	Lactate	Carbohydrate	Glycolysis, gluconeogenesis, and pyruvate metabolism	0.92	0.49	0.999
	Adenosine 3′,5′-cyclic monophosphate	Nuclotide	Purine metabolism	1.09	0.40	0.999
Plasma: control versus multiple	p-Cresol sulfate	Amino Acid	Phenylalanine and tyrosine metabolism	0.49	0.004	0.927
	Phenylacetylglycine	Amino Acid	Phenylalanine and tyrosine metabolism	0.63	0.09	0.942
	Glycerate	Carbohydrate	Glycolysis, gluconeogenesis, and pyruvate metabolism	1.10	0.29	0.965
	N-formylmethionine	Amino Acid	Cysteine, methionine, SAM, and taurine metabolism	0.78	0.66	0.965
	Stearoyl sphingomyelin	Lipid	Sphingolipid	0.84	0.05	0.980
Plasma: single versus multiple	Ectoine	Xenobiotics	Chemical	1.68	0.0002	0.920
	Tartarate	Xenobiotics	Food component/plant	1.63	0.004	1.000
Lung: control versus single	Ergothioneine	Xenobiotics	Food component/plant	1.65	9.2 × 10−7	1.000
Lung: control versus multiple	7-β-Hydroxycholesterol	Lipid	Sterol/steroid	0.53	0.00004	1.000
Lung: single versus multiple	1-Stearoylglycero phosphoglycerol	Lipid	Lysolipid	1.65	0.0003	1.000

Definition of abbreviations: AUC, area under the curve; SAM, S-adenosyl-l-methionine.

AUCs listed are cumulative until the set includes 5 metabolites or a maximal AUC of 1.000 is reached. P values listed are for the individual metabolite.