Prediction of drug bioavailability by genetic algorithm and artificial neural network.
- Author:
Ze WANG
1
;
Xin-Cheng LI
;
Wei-Xin ZHU
Author Information
- Publication Type:Journal Article
- MeSH: Algorithms; Biological Availability; Neural Networks (Computer)
- From: Acta Pharmaceutica Sinica 2006;41(12):1180-1183
- CountryChina
- Language:Chinese
-
Abstract:
AIMTo set up an artificial neural network system and optimize by genetic algorithm (GA) to predict drug bioavailability.
METHODSGenetic algorithm was used to optimize weights of the artificial neural network. The optimal solution of the artificial neural network model at a specific condition was obtained using the good search ability of genetic algorithm in order to predict drug bioavailability. Volume, refractivity, lgP(c), hydration, polarizability, E(HOMO) and E(LUMO) are inputs of the drug bioavailability prediction neural network, and its output is average drug bioavailability.
RESULTSThe prediction precision of average drug bioavailability of the GA- neural network model is 95.9%.
CONCLUSIONThis model can be used in the forecasting of drug bioavailability.
