OBJECTIVE To establish a model for the prediction of biopharmaceutics classification of drug.METHODS An prediction model for intrinsic solubility with 60 drug samples using BP neural network and an prediction model for permeability with 214 drug samples using genetic BP neural network were established.And the prediction model for biopharmaceutics classification system was set up on the former two mathematical models.RESULTS For the biopharmaceutics classification system,the prediction accuracy of solubility,permeability and biopharmaceutics classification were 93.8%,81.2% and 75.0%,respectively.CONCLUSION This model can well predict the biopharmaceutics classification of the drugs with high accuracy.