Drug affinity to human serum albumin prediction by retention of cetyltrimethylammonium bromide pseudostationary phase in micellar electrokinetic chromatography and chemically advanced template search descriptors.

•Retention of the CTAB pseudostationary phase in MEKC has been correlated with the retention of HSA chromatography.•A novel approach to the prediction of human serum albumin affinity based on retention in MEKC and CATS descriptors was proposed.•Comparison of regression methods (MLR, PLS, OPLS, SVM) as potential tools supporting the prediction of HSA affinity was performed.