In this work, biopartitioning micellar liquid chromatography (BMLC) was used to the assessment of affinity binding of 13 pain‐relief drugs to human serum albumin (HSA) molecules. The values of BMLC retention factors were determined by aqueous CTAB solution as mobile phase. Then, these values were correlated to some molecular structural descriptors by using a quantitative structure retention relationship methodology. The statistical quality of the obtained models was evaluated by different validation tests. Also, selected descriptors were correlated with protein–drug binding values and resulted in correlation coefficients higher than 0.8. Results indicated that selected descriptors can address the most important structural features influencing the binding affinity of studied drugs to HSA.
