摘要
药物的ADMET性质(即药代动力学性质和安全性)是影响药物研发成败的最主要因素。为提高抗乳腺癌候选药物的研发成功率并减少开发成本,针对抗乳腺癌药物ADMET性质预测,采用一种基于随机森林的逻辑回归模型。基于该模型对抗乳腺癌药物ADMET性质进行预测,并进行对比验证。结果表明,该方法对抗乳腺癌药物ADMET性质预测的准确率较高且性能良好,为优化抗乳腺癌药物ADMET性质的预测提供了新的方案。
The ADMET properties(Pharmacokinetic properties and safety)of drugs are crucial factors influencing the success or failure of drug development.In order to improve the success rate and reduce the development cost of anti-breast cancer candidate drugs,a logistic regression model based on random forest was used to predict ADMET properties of anti-breast cancer drugs.Based on this model,the ADMET properties of anti-breast cancer drugs were predicted and compared for validation.The results show that this method achieves high accuracy and good performance in predicting the ADMET properties of anti-breast cancer drugs,providing a new approach for optimizing the prediction of ADMET properties of anti-breast cancer drugs.
作者
张襄松
高秀秀
ZHANG Xiangsong;GAO Xiuxiu(School of Sciences,Xi'an Technological University,Xi'an 710000,China)
出处
《内蒙古工业大学学报（自然科学版）》
2023年第6期481-487,共7页
Journal of Inner Mongolia University of Technology：Natural Science Edition
基金
国家自然科学基金项目(61807026)。
