Yanling Wu, Kun Li, Menglong Li, Xuemei Pu, Yanzhi Guo. Attention Mechanism-Based Graph Neural Network Model for Effective Activity Prediction of SARS-CoV-2 Main Protease Inhibitors: Application to Drug Repurposing as Potential COVID-19 Therapy. Journal of Chemical Information and Computer Sciences, 63(22):7011-7031, November 2023. [doi]
Abstract is missing.