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多模式融合与关系学习用于分子性质预测

Zhengyang Zhou1, Yunrui Li2, Pengyu Hong2

  • 1Department of Computer Science, Brandeis University, Waltham, MA, USA. zhengyjo@brandeis.edu.

Communications chemistry
|July 5, 2025
PubMed
概括

多模式融合与关系学习 (MMFRL) 通过整合各种数据来改善分子性质预测. 这种框架提高了准确性和可解释性,即使在推断过程中没有辅助数据,也有利于药物发现和材料科学.

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