Small molecule structure elucidation from NMR spectra with generative and reasoning models

Ziyu Xiong, Vanessa Y. Ying, Jonathan Z. Huang, Zane Koch, Joseph D. Clark, Robert C. Heeter, Joon Soo An, Karit Matanachai, Samuel G. Rodriques, Andrew D. White, Mohammad R. Seyedsayamdost, Ellen D. Zhong

Open source

DOI
10.64898/2026.10.29.762711
Published
2026-10-31
Container
Not recorded
Publisher
openRxiv
Open access
unknown

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BibTeX

@article{allodium:10.64898/2026.10.29.762711,
  title = {Small molecule structure elucidation from NMR spectra with generative and reasoning models},
  author = {Ziyu Xiong and Vanessa Y. Ying and Jonathan Z. Huang and Zane Koch and Joseph D. Clark and Robert C. Heeter and Joon Soo An and Karit Matanachai and Samuel G. Rodriques and Andrew D. White and Mohammad R. Seyedsayamdost and Ellen D. Zhong},
  year = {2026},
  doi = {10.64898/2026.10.29.762711},
  url = {https://doi.org/10.64898/2026.10.29.762711}
}

RIS

TY  - JOUR
TI  - Small molecule structure elucidation from NMR spectra with generative and reasoning models
AU  - Ziyu Xiong
AU  - Vanessa Y. Ying
AU  - Jonathan Z. Huang
AU  - Zane Koch
AU  - Joseph D. Clark
AU  - Robert C. Heeter
AU  - Joon Soo An
AU  - Karit Matanachai
AU  - Samuel G. Rodriques
AU  - Andrew D. White
AU  - Mohammad R. Seyedsayamdost
AU  - Ellen D. Zhong
PY  - 2026
DO  - 10.64898/2026.10.29.762711
UR  - https://doi.org/10.64898/2026.10.29.762711
ER  - 

APA

Xiong, Z., Ying, V. Y., Huang, J. Z., Koch, Z., Clark, J. D., Heeter, R. C., An, J. S., Matanachai, K., Rodriques, S. G., White, A. D., Seyedsayamdost, M. R., & Zhong, E. D. (2026). Small molecule structure elucidation from NMR spectra with generative and reasoning models. https://doi.org/10.64898/2026.10.29.762711

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