Table 2.

Performance of double cross-validated PLS-DA models after N = 500 random iteration (average values and standard deviations in the brackets) to select the main m/z signals while classifying between responders and non-responders for each treatment group.

	Risperidone	Olanzapine	Quetiapine
# of latent variables	1.06 (0.40)	1.23 (0.46)	1.12 (0.33)
RMSECV	0.005 (0.024)	0.04 (0.06)	0.03 (0.05)
Misclassified	0.4 (4.5) %	0.3 (2.3) %	0
M/Z selected	36	134	119