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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].

From: Statistical learning of peptide retention behavior in chromatographic separations: a new kernel-based approach for computational proteomics

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