Objective To evaluate the impact of the defined daily dose on the performance of drug-induced liver injury(DILI)prediction models based on the support vector machine(SVM).Methods A total of 207 pieces of data on the structure and daily defined dose(DDD)were collected from public databases.The dataset was randomly split into a training set and a test set at the ratio of 4:1.Quantitative estimates of drug-likeness properties were extracted and the DDD was added as a new feature.The SVM was used to construct a DILI prediction model.Four metrics were used to evaluate the model performance.The dataset was randomly split 100 times to establish the predictive model,and the changes in the predictive performance of the model after DDD features were added were investigated.Results The prediction results of the SVM showed that most metrics were improved after DDD was added so that the mean accuracy,recall,precision and area under the receiver operating characteristic curve were 0.763,0.773,0.779 and 0.832,respectively,which were 0.088,0.103,0.074 and 0.105 higher than those without DDD,respectively.Conclusion The DDD can significantly improve the accuracy of the DILI prediction model.
关键词
肝毒性/支持向量机/规定日服用剂量/预测模型/安全性
Key words
drug induced liver injury/support vector machine/defined daily dosage/prediction model/safety
维普
万方数据