Table 3. Metabolite combinations with highest predictive potentials according to ROC AUC values starting with most promising metabolite combination (“rank”) for each combination type (pairs, triplets, quartets, quintets). Multivariate classification was based on PLR with combinations of the 16 metabolites selected from and gender- and age-corrected by univariate statistical ANOVA modeling.

combinations	rank	Uridine	Cortisol	Cysteine	Dopamine	Methionine	Phenylalanine	Serine	149401061.Unknown	149401096.Unknown	39400528.Unknown	AUC
pairs	1	x		x								0.793
	2	x	x									0.770
	3		x	x								0.770
	4	x							x			0.763
	5		x								x	0.763
triplets	1	x	x	x								0.825
	2	x		x					x			0.816
	3	x	x								x	0.813
	4	x		x	x							0.806
	5	x		x				X				0.805
quartets	1	x	x	x						x		0.836
	2	x	x	x			x					0.833
	3	x		x	x				x			0.832
	4	x		x					x	x		0.831
	5	x	x	x				X				0.831
quintets	1	x	x	x			x			x		0.845
	2	x		x	x				x	x		0.843
	3	x	x	x				x		x		0.841
	4	x	x	x		x				x		0.840
	5	x	x	x						x	x	0.839