Activity Cliff Prediction: Dataset and Benchmark. - Ziqiao Zhang; Bangyi Zhao; Ailin Xie; Yatao Bian; Shuigeng Zhou (CoRR, 2023)

Molecular Property Prediction Based on Graph Structure Learning. - Bangyi Zhao; Weixia Xu; Jihong Guan; Shuigeng Zhou (CoRR, 2023)