Evidence map›Paper›PMID 41927575›Full record

ArticleNature communications2026

NMR-Solver: automated structure elucidation via large-scale spectral matching and physics-guided fragment optimization.

Yongqi Jin, Jun-Jie Wang, Fanjie Xu, Xiaohong Ji, Zhifeng Gao, Linfeng Zhang, Guolin Ke, Rong Zhu, Weinan E

Abstract read
In one paragraph

Article in Nature communications, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

1 citing paper in PubMed.

  1. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Yongqi JinSchool of Mathematical Sciences, Peking University, Beijing, China.ORCID http://orcid.org/0009-0003-9468-5468
Jun-Jie WangDP Technology, Beijing, China.
Fanjie XuDP Technology, Beijing, China.ORCID http://orcid.org/0009-0007-1007-5427
Xiaohong JiDP Technology, Beijing, China.
Zhifeng GaoDP Technology, Beijing, China.ORCID http://orcid.org/0000-0001-8433-999X
Linfeng ZhangDP Technology, Beijing, China.
Guolin KeDP Technology, Beijing, China. kegl@dp.tech.ORCID http://orcid.org/0000-0002-1227-7221
Rong ZhuCollege of Chemistry and Molecular Engineering, Peking University, Beijing, China. rongzhu@pku.edu.cn.ORCID http://orcid.org/0000-0001-5035-3531
Weinan ESchool of Mathematical Sciences, Peking University, Beijing, China. weinan@math.pku.edu.cn.

Funding

National Natural Science Foundation of China (National Science Foundation of China) 12288101National Natural Science Foundation of China (National Science Foundation of China) 22350006, T2521001, 22222101, 22171012National Natural Science Foundation of China (National Science Foundation of China) 92570001Natural Science Foundation of Beijing Municipality (Beijing Natural Science Foundation) 2242006
6 · The paper itself

Abstract

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures remains a labor-intensive and expertise-dependent process, particularly for complex or novel compounds. Although recent methods have been proposed for molecular structure elucidation, they often underperform in real-world applications due to inherent algorithmic limitations and limited high-quality data. Here, we present NMR-Solver, a practical and interpretable framework for the automated determination of small organic molecule structures from

Identifiers

PMID41927575
PMCPMC13216333

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.