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How well can off-the-shelf LLMs elucidate molecular structures from mass spectra using chain-of-thought reasoning?

Published Online: 2026-07-31

Authors

Wang, Yufeng

Wei, Lu

Liu, Lin

Xu, Hao

Ling, Haibin
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Text and Data Mining valid from 2026-07-31

Version of Record valid from 2026-08-17
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Article History

Received: 9 January 2026

Accepted: 25 May 2026

First Online: 31 July 2026

Declarations

Competing interests: The authors declare that they have no competing interests.

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