DrugOOD: Out-of-Distribution Dataset Curator and Benchmark for AI-Aided Drug Discovery - a Focus on Affinity Prediction Problems with Noise Annotations.
Yuanfeng JiLu ZhangJiaxiang WuBingzhe WuLanqing LiLong-Kai HuangTingyang XuYu RongJie RenDing XueHoutim LaiWei LiuJunzhou HuangShuigeng ZhouPing LuoPeilin ZhaoYatao BianPublished in: AAAI (2023)