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TransFoxMol:通过集中注意力预测分子性质

Jian Gao1, Zheyuan Shen1, Yufeng Xie2

  • 1Hangzhou Institute of Innovative Medicine, Institute of Drug Discovery and Design, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China.

Briefings in bioinformatics
|August 22, 2023
PubMed
概括

新的人工智能框架TransFoxMol通过将化学知识集成到其变压器模型中来增强分子性质预测. 这种方法提高了准确性,特别是在有限的数据,超过现有方法.

关键词:
计算机辅助药物设计深度学习是一种深度学习.分子表示的分子表示.变压器 变压器 变压器

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