Author name: Zhuohao Lin, Kun Li, Jiameng Chen, Jiajun Yu, Duanhua Cao, Yizhen Zheng, Wenbin Hu

arXiv:2605.13932v1 Announce Type: new
Abstract: Robust prediction of molecular properties under extreme out-of-distribution (OOD) scenarios is a pivotal bottleneck in AI-driven drug discovery. Current scaffold-splitting protocols fail to obstruct micr…