Application of RP-18 thin-layer chromatography and quantitative structure–activity relationship analysis for the prediction of the blood–brain barrier permeation

In this study, a number of computed or chromatographically measured (RP-18 thin-layer chromatography [TLC]) descriptors are presented. The relationships between these descriptors and the observed (BBobs) and calculated (B2) BBB bioavailability were studied by stepwise multiple regression analysis and discriminant function analysis on a group of 34 compounds of diverse structures. Useful models of the blood–brain distribution given by the...