中国药物评价2025，Vol.42Issue(2)：91-94,4.
基于随机森林算法的溶出方法中溶出介质pH预测模型研究
Research on the Prediction Model of Dissolution Medium pH in the Dissolution Method Based on Random Forest Algorithm
曹文军 1李佐静2
作者信息
- 1. 沈阳药科大学,辽宁沈阳 117004||美药典标准研发技术服务(上海)有限公司,上海 200137
- 2. 沈阳药科大学,辽宁沈阳 117004
- 折叠
摘要
Abstract
The dissolution test plays an important role in the drug research and development,and the prediction of parameters in the dissolution method can help improve the efficiency of the development of dissolution method.In this study,a random forest machine learn-ing algorithm was used to construct a prediction model of the dissolution medium pH in the dissolution method based on 1331 datasets.The hyperparameters were tuned using grid search techniques.The AUC of the optimized random forest classification prediction model was 0.85(Class 1),0.90(Class 2),0.86(Class 3),and 0.87(Class 4),respectively,and the accuracy was 0.76.The pH prediction model of the dissolution medium for the dissolution method constructed by the optimized random forest algorithm can provide a reference for the development of drug dissolution methods and improve the development efficiency.关键词
机器学习/随机森林/溶出方法/网格搜索Key words
Machine learning/Random forest/Dissolution methods/Grid search分类
药学引用本文复制引用
曹文军,李佐静..基于随机森林算法的溶出方法中溶出介质pH预测模型研究[J].中国药物评价,2025,42(2):91-94,4.
