title: [Predicting skin permeability of drugs with theoretical parameters].
abstract: 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.
authors.affiliation: College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310031, China.
authors.forename: X C
authors.initials: XC
authors.lastname: Fu
authors.forename: W Q
authors.initials: WQ
authors.lastname: Liang
authors.forename: Q S
authors.initials: QS
authors.lastname: Yu
mesh_terms: D004008:Diclofenac / Q000493:pharmacokinetics; D006801:Humans; D008433:Mathematics; D016571:Neural Networks, Computer; D010599:Pharmacokinetics; D020156:Salicylic Acid / Q000493:pharmacokinetics; D012869:Skin Absorption
chemical_list: D004008:Diclofenac; D020156:Salicylic Acid