Evidence map›Paper›PMID 33222074›Full record

ArticleMetabolomics : Official journal of the Metabolomic Society2020

Applying NMR compound identification using NMRfilter to match predicted to experimental data.

Stefan Kuhn, Simon Colreavy-Donnelly, Lucas Eliseu de Andrade Silva Quaresma, Ezequiel de Andrade Silva Quaresma, Ricardo Moreira Borges

Abstract read
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In one paragraph

Article in Metabolomics : Official journal of the Metabolomic Society, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Review
  2. Advances in Microbial NMR Metabolomics.Advances in experimental medicine and biology · 2023
    Article
  3. Microbial Metabolites Annotation by Mass Spectrometry-Based Metabolomics.Advances in experimental medicine and biology · 2023
    Article
  4. Review
  5. New software tools, databases, and resources in metabolomics: updates from 2020.Metabolomics : Official journal of the Metabolomic Society · 2021
    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

5 authors.

Stefan KuhnSchool of Computer Science and Informatics, De Montfort University, The Gateway, Leicester, LE1 9BH, UK.ORCID http://orcid.org/0000-0002-5990-4157
Simon Colreavy-DonnellySchool of Computer Science and Informatics, De Montfort University, The Gateway, Leicester, LE1 9BH, UK.ORCID http://orcid.org/0000-0002-1795-6995
Lucas Eliseu de Andrade Silva QuaresmaWalter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
Ezequiel de Andrade Silva QuaresmaWalter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
Ricardo Moreira BorgesWalter Mors Institute of Research on Natural Products, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil. ricardo_mborges@ufrj.br.ORCID http://orcid.org/0000-0002-7662-6734

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

introductionMetabolomics is the approach of choice to guide the understanding of biological systems and its molecular intricacies, but compound identification is yet a bottleneck to be overcome.

objectiveTo assay the use of NMRfilter for confidence compound identification based on chemical shift predictions for different datasets.

resultsWe found comparable results using the lead tool COLMAR and NMRfilter. Then, we successfully assayed the use of HMBC to add confidence to the identified compounds.

conclusionsNMRfilter is currently under development to become a stand-alone interactive software for high-confidence NMR compound identification and this communication gathers part of its application capabilities.

Indexed as

Drug DiscoveryMagnetic Resonance SpectroscopyMetabolomicsCompound identificationDereplicationMetabolomicsNMRNMRfilter

Identifiers

PMID33222074

What OpenQuestion holds

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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.