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Updated: Sep 9, 2025

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基于大型语言模型的复合碰撞截面预测

Zeyu Zhu1, Chengyi Xie2, Shaojie Lin1

  • 1Department of Electronic Science, National Institute for Data Science in Health and Medicine, Xiamen University, Xiamen 361005, China.

Analytical chemistry
|September 1, 2025
PubMed
概括

通过使用化学大语言模型 (CLLM),HyperCCS提高了离子移动性质谱的复合注释精度. 这种新的框架改善了碰撞截面 (CCS) 预测,优于现有的多种分子方法.

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