Table 3.

Evaluation of prediction performance for retention time prediction using the POBK. This table shows the performances of the POBK using our verified datasets (introduced in the "Methods" section). The other columns contain the squared correlation coefficient between the observed normalized retention times and the predicted ones for the POBK and the method by Krokhin [30].

Training set	Test set	POBK	Krokhin [30]
vds1	(vds2 ∪ vds3)\vds1	0.9570	0.9101
vds2	(vds1 ∪ vds3)\vds2	0.9564	0.9212
vds3	(vds1 ∪ vds2)\vds3	0.9521	0.9229