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Several chromatographic parameters (  R M   0  and  S  obtained from RP-18 TLC with methanol-pH 7.4 phosphate buffer mobile phases by extrapolation to zero concentration of methanol;  R f   and  R M   obtained from RP-18 TLC with acetonitrile-pH 7.4 phosphate buffer 70:30 v / v as a mobile phase) and calculated molecular descriptors (molecular weight-  M W   ; molar volume-  V M   ; polar surface area-  PSA  ; total count of nitrogen and oxygen atoms-(  N+O  ); H-bond donor count-  HD  ; H-bond acceptor count-  HA  ; distribution coefficient-log  D  ; total energy-  E T   ; binding energy-  E b   ; hydration energy-  E h   ; energy of the highest occupied molecular orbital-  E HOMO   ; energy of the lowest unoccupied orbital-  E LUMO   ; electronic energy-  E e   ; surface area-  S a   ; octanol-water partition coefficient-log  P  ; dipole moment-  DM  ; refractivity-  R  , polarizability-  α  ) and their combinations (  R f   /  PSA  ,  R M   /  M W   ,  R M   /  V M   ) were tested in order to generate useful models of solutes' skin permeability coefficient log  K p   . It was established that neither  R M   0  nor  S  obtained in the conditions used in this study is a good predictor of the skin permeability coefficient. The chromatographic parameters  R f   and  R f /PSA  were also unsuitable for this purpose. A simple and potentially useful, purely computational model based on (  N+O  ), log  D  and  HD  as independent variables and accounting for ca. 83% of total variability was obtained. The evaluation of parameters derived from  R M   (  R M   ,  R M   /  M W   ,  R M   /  V M   ) as independent variables in log  K p   models proved that  R M   /  V M   is the most suitable descriptor belonging to this group. In a search for a reliable log  K p   model based on this descriptor two possibilities were considered: a relatively simple model based on 5 independent variables: (  N+O  ), log  D  ,  R M   /  V M   ,  E T   and  E h   and a more complex one, involving also  E b   ,  M W   and  PSA  .

Application of RP-18 TLC Retention Data to the Prediction of the Transdermal Absorption of Drugs