Table 2.

Statistical and discriminant metrics of the selected annotated features

HMDB	Putative annotation	MPSIIIA			MPSIIIB			MPSIIIC			MPSIIID
		FDR	AUC	VIP	FDR	AUC	VIP	FDR	AUC	VIP	FDR	AUC	VIP
HMDB01238	N-Acetylserotonin	2.28E−03	0.83	1.21	6.05E−01	0.83	0.93	8.61E−01	0.61	0.99	9.70E−01	0.54	0.35
HMDB12267	N-Succinyl-l,l-2,6-diaminopimelate	3.88E−01	0.60	0.56	7.44E−01	0.63	0.64	9.06E−03	0.73	1.29	6.56E−01	0.69	0.05
HMDB33752	3-2-Hydroxyphenyl-propanoic acid	1.76E−02	0.76	1.53	5.30E−01	0.77	1.76	3.31E−01	0.66	0.93	7.56E−01	0.62	0.22
HMDB10347	Octanoylglucuronide	6.75E−01	0.58	0.69	3.86E−01	0.72	1.95	8.54E−01	0.64	0.51	2.57E−02	0.79	1.90

FDR false discovery rate, AUC area under the curve, VIP variable importance in projection

Significant features are highlighted in italics for control and each disease comparison (false discovery rate FDR = 5%)