MC-GNNAS-Dock: Multi-criteria GNN-Based Algorithm Selection for Molecular Docking

Siyuan Cao, Hongxuan Wu, Jiabao Brad Wang, Yiliang Yuan, Mustafa Misir. MC-GNNAS-Dock: Multi-criteria GNN-Based Algorithm Selection for Molecular Docking. In Yi Mei 0001, Chao Qian 0001, Quan Bai 0001, Bing Xue 0001, Sankalp Khanna, editors, PRICAI 2025: Trends in Artificial Intelligence - 22nd Pacific Rim International Conference on Artificial Intelligence, PRICAI 2025, Wellington, New Zealand, November 17-21, 2025, Proceedings, Part I. Volume 16451 of Lecture Notes in Computer Science, pages 686-696, Springer, 2025. [doi]

Abstract

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