Mukun Chen1, Jia Wu2, Shirui Pan3

  • 1School of Computer Science, Wuhan University, Wuhan, Hubei Province, China.

PubMed
概括

本研究介绍了知识意识的对比异质分子图学习 (KCHML),用于优异的分子性质预测. 通过将外部知识整合到分子表示中,KCHML增强了药物设计.

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