Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning
Published in Molecules, 2023
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Recommended citation: Yaowen Gu, Jiao Li, Hongyu Kang, Bowen Zhang, Si Zheng, "Employing Molecular Conformations for Ligand-Based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning." Molecules, 2023.