. 2022 Apr 18;20(5):965–982. doi: 10.2174/1570159X19666210611095320

Table 6.

The performance of discriminatory models in correctly separating study observations into their respective classes based on metabolites in the serum and urine.

Sample Type	Phenotypes Under Study	Model	Predictive Performance in Score Plot	Fischer’s Exact Statistics
Serum samples	Treatment naive MDD patient vs. non-depressed volunteers	PLSDA	96.88%	2.4e-006
	Treatment naive MDD patient vs. non-depressed volunteers	OPLSDA	96.88%	2.4e-006
	MDD patient on treatment for 2 weeks vs. non-depressed volunteers	PLSDA	95.83%	2.3e-005
		OPLSDA	95.83%	2.3e-005
	MDD patient on treatment for 2 weeks vs. treatment naive MDD patients	PLSDA	84.85%	7.5e-005
		OPLSDA	84.85%	7.5e-005
	Treatment response vs. non-response to treatment	PLSDA	88.89%	0.0011*
	Treatment response vs. non-response to treatment	OPLSDA	88.89%	0.0011*
	Adverse effect vs. no adverse effect	PLSDA	94.12%	0.0021*
	Adverse effect vs. no adverse effect	OPLSDA	94.12%	0.0021*
Urine samples	TNMDD vs. HC	PLSDA	84.21%	0.0024*
	TNMDD vs. HC	OPLSDA	84.21%	0.0024*
	TNMDD after 2 weeks of SSRI vs. HC	PLSDA	90.91%	0.00019*
	TNMDD after 2 weeks of SSRI vs. HC	OPLSDA	90.91%	0.00019*
	TNMDD vs. TNMDD after 2 weeks of SSRI	PLSDA	78.57	0.063
	TNMDD vs. TNMDD after 2 weeks of SSRI	OPLSDA	78.57	0.063
	Responders vs. non-responders to SSRI treatment for 2 weeks	PLSDA	85.71%	0.015*
		OPLSDA	85.71%	0.015*
	Adverse effect vs. no adverse effect to SSRI treatment for 2 weeks	PLSDA	83.33%	0.045*
		OPLSDA	83.33%	0.045*

Abbreviations: PLSDA = Partial Least Square Discriminant Analysis, OPLSDA = Orthogonal Projections to Latent Structures-Discriminant Analysis, N = sample size, A = number of principal components, R2Y = measure of the reliability of the model, Q2Y = measure of predictability of model, pCV ANOVA* = statistics for cross-validation.