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Updated: Sep 17, 2025

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IUPAC-GPT:基于IUPAC的大规模分子预训练模型,用于属性预测和分子生成

Jiashun Mao1,2, Tang Sui3, Kwang-Hwi Cho4

  • 1School of Medical Information and Engineering, Southwest Medical University, Luzhou, 610199, China.

Molecular diversity
|July 3, 2025
PubMed
概括

一个新的化学语言模型,IUPAC-GPT,在分子生成和属性预测任务中表现出色. 它的性能优于在SMILES字符串上训练的模型,提供更好的解释性和化学结构的语义理解.

关键词:
在 GPT-2 中使用.基于IUPAC的大规模模型分子表示的分子表示.分子生成分子的产生.预培训 预培训 预培训

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