Evidence map›Paper›PMID 41413059›Full record

ArticleScientific data2025

NMRexp: A database of 3.3 million experimental NMR spectra.

Jun-Jie Wang, Yongqi Jin, Chen-Yu Zhi, Yu-Jie Liu, Xu-Hao Huang, Fanjie Xu, Xiaohong Ji, Xi Fang, Haoyi Tao, Weinan E and 3 more

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Scientific data, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Article
  2. Review
  3. 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

13 authors.

Jun-Jie WangBeijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China.
Yongqi JinDP Technology, Beijing, 100080, China.
Chen-Yu ZhiBeijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China.
Yu-Jie LiuBeijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China.
Xu-Hao HuangDP Technology, Beijing, 100080, China.
Fanjie XuDP Technology, Beijing, 100080, China.
Xiaohong JiDP Technology, Beijing, 100080, China.
Xi FangDP Technology, Beijing, 100080, China.
Haoyi TaoDP Technology, Beijing, 100080, China.
Weinan ESchool of Mathematical Sciences, Peking University, Beijing, 100871, China.
Linfeng ZhangDP Technology, Beijing, 100080, China.
Guolin KeDP Technology, Beijing, 100080, China.
Rong ZhuBeijing National Laboratory for Molecular Sciences (BNLMS), Key Laboratory of Bioorganic Chemistry and Molecular Engineering of Ministry of Education, College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871, China. rongzhu@pku.edu.cn.ORCID http://orcid.org/0000-0001-5035-3531

Funding

National Natural Science Foundation of China (National Science Foundation of China) 22222101National Natural Science Foundation of China (National Science Foundation of China) 22350006Natural Science Foundation of Beijing Municipality (Beijing Natural Science Foundation) 2242006
6 · The paper itself

Abstract

Although NMR spectroscopy is one of the most fundamental methods for structural characterization in organic chemistry, high-quality and large-scale experimental NMR datasets remain a critical bottleneck for training robust, generalizable spectral-prediction and structure-elucidation models. Here, we introduce NMRexp, an open, curated collection of 3.3 million experimental NMR records for six nuclei (

Identifiers

PMID41413059
PMCPMC12714850

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Registered trials

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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.