Enhancing Bioactivity Prediction via Spatial Emptiness Representation of Protein-ligand Complex and Union of Multiple Pockets

Zhiyuan Zhou, Yueming Yin, Yiming Yang, Yuguang Mu, Hoi-Yeung Li, Adams Wai-Kin Kong. Enhancing Bioactivity Prediction via Spatial Emptiness Representation of Protein-ligand Complex and Union of Multiple Pockets. In Danielle Belgrave, Cheng Zhang 0005, Laura N. Montoya, Hsuan-Tien Lin, Razvan Pascanu, Piotr Koniusz, Marzyeh Ghassemi, Nancy Chen, Iván Vladimir Meza Ruíz, Arturo Loaiza-Bonilla, editors, Advances in Neural Information Processing Systems 38: Annual Conference on Neural Information Processing Systems 2025, NeurIPS 2025, San Diago, CA, USA, December 2-7, 2025 / Mexico City, Mexico, November 30 - December 5, 2025. 2025. [doi]

Abstract

Abstract is missing.