Evidence map›Paper›PMID 40443993›Full record

ArticleChemical science2025

NMRExtractor: leveraging large language models to construct an experimental NMR database from open-source scientific publications.

Qinggong Wang, Wei Zhang, Mingan Chen, Xutong Li, Zhaoping Xiong, Jiacheng Xiong, Zunyun Fu, Mingyue Zheng

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Chemical science, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Review
  2. Review
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

8 authors.

Qinggong WangNanjing University of Chinese Medicine 138 Xianlin Road Nanjing 210023 China myzheng@simm.ac.cn.
Wei ZhangDrug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences 555 Zuchongzhi Road Shanghai 201203 China fuzunyun@simm.ac.cn s19-xiongjiacheng@simm.ac.cn.
Mingan ChenDrug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences 555 Zuchongzhi Road Shanghai 201203 China fuzunyun@simm.ac.cn s19-xiongjiacheng@simm.ac.cn.
Xutong LiDrug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences 555 Zuchongzhi Road Shanghai 201203 China fuzunyun@simm.ac.cn s19-xiongjiacheng@simm.ac.cn.
Zhaoping XiongProtonUnfold Technology Co., Ltd Suzhou China.
Jiacheng XiongDrug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences 555 Zuchongzhi Road Shanghai 201203 China fuzunyun@simm.ac.cn s19-xiongjiacheng@simm.ac.cn.
Zunyun FuShanghaiTech University Shanghai 201210 China.
Mingyue ZhengNanjing University of Chinese Medicine 138 Xianlin Road Nanjing 210023 China myzheng@simm.ac.cn.ORCID https://orcid.org/0000-0002-3323-3092

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Nuclear magnetic resonance (NMR) spectroscopy is crucial for elucidating molecular structures, but NMR data extraction remains largely manual and time-consuming. We developed NMRExtractor, a locally deployable tool using a fine-tuned large language model, to address this challenge. By processing 5 734 869 open-source scientific publications, we created NMRBank, a dataset containing 225 809 entries with compound IUPAC names, NMR conditions,

Identifiers

PMID40443993
PMCPMC12118362

What OpenQuestion holds

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LicenceCC BY-NC
Read underepoch 390

Registered trials

None linked

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.