首页|期刊导航|药物分析学报(英文)|ACtriplet:An improved deep learning model for activity cliffs prediction by integrating triplet loss and pre-training
药物分析学报(英文)2025,Vol.15Issue(8):1837-1847,11.DOI:10.1016/j.jpha.2025.101317
ACtriplet:An improved deep learning model for activity cliffs prediction by integrating triplet loss and pre-training
ACtriplet:An improved deep learning model for activity cliffs prediction by integrating triplet loss and pre-training
摘要
关键词
Activity cliff/Triplet loss/Deep learning/Pre-trainingKey words
Activity cliff/Triplet loss/Deep learning/Pre-training引用本文复制引用
Xinxin Yu,Yimeng Wang,Long Chen,Weihua Li,Yun Tang,Guixia Liu..ACtriplet:An improved deep learning model for activity cliffs prediction by integrating triplet loss and pre-training[J].药物分析学报(英文),2025,15(8):1837-1847,11.基金项目
This work was supported by the National Natural Science Foundation of China(Grant Nos.:U23A20530,82273858,and 82173746),the National Key Research and Development Program of China(Grant No.:2023YFF1204904),and Shanghai Frontiers Sci-ence Center of Optogenetic Techniques for Cell Metabolism(Shanghai Municipal Education Commission,China). (Grant Nos.:U23A20530,82273858,and 82173746)