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分子特性予測のための多層融合グラフニューラルネットワーク

XiaYu Liu1, Chao Fan2, Yang Liu1

  • 1School of Mathematical Sciences, University of Electronic Science and Technology of China, Chengdu 610054, China.

Journal of chemical information and modeling
|August 20, 2025
PubMed
まとめ

この研究は,強化された分子特性予測のための多層融合グラフニューラルネットワーク (MLFGNN) を導入します. MLFGNNは,ローカルとグローバルの両方の分子構造を効果的にモデル化し,薬剤発見のタスクで既存の方法を上回ります.

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