[Predicting skin permeability of drugs with theoretical parameters].
OBJECTIVE
To predict skin permeability of drugs with theoretical parameters.


METHODS
The semiempirical self-consistent field molecular calculation AM1 method is utilized to obtain the structural parameters of drug molecules. Stepwise multiple regression analysis or BP network is then utilized to establish the correlation between skin permeability of drugs and their structural parameters.


RESULTS
The calculated human skin permeability coefficients (kp) of 22 model drugs in vitro or the R values (R = absorbed/unabsorbed) of 17 drugs in vivo are in good agreement with their observed values.


CONCLUSIONS
Theoretical parameters can be used to predict skin permeability of drugs.
Fu
X C
XC
College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310031, China.
Liang
W Q
WQ
Yu
Q S
QS
D004008:Diclofenac / Q000493:pharmacokinetics; D006801:Humans; D008433:Mathematics; D016571:Neural Networks, Computer; D010599:Pharmacokinetics; D020156:Salicylic Acid / Q000493:pharmacokinetics; D012869:Skin Absorption
D004008:Diclofenac; D020156:Salicylic Acid