Molecular Graph Representation Learning Via Structural Similarity Information

Chengyu Yao, Hong Huang,Hang Gao,Fengge Wu, Haiming Chen,Junsuo Zhao

MACHINE LEARNING AND KNOWLEDGE DISCOVERY IN DATABASES RESEARCH TRACK, PT III, ECML PKDD 2024（2024）

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关键词

Molecular property prediction,Graph neural networks,Graph representation learning,Graph kernel

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