Evidence map›Paper›PMID 36712343›Full record

ArticlePNAS nexus2022

NPOmix: A machine learning classifier to connect mass spectrometry fragmentation data to biosynthetic gene clusters.

Tiago F Leão, Mingxun Wang, Ricardo da Silva, Alexey Gurevich, Anelize Bauermeister, Paulo Wender P Gomes, Asker Brejnrod, Evgenia Glukhov, Allegra T Aron, Joris J R Louwen and 8 more

Abstract read
In one paragraph

Article in PNAS nexus, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.

0numbers the graph read from it
0cells of the map it votes in
16citing 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

16 citing papers in PubMed.

  1. Review
  2. Review
  3. Review
  4. Article
  5. Review
  6. Article
  7. Review
  8. Biodiscovery ofMicrobial genomics · 2025
    Article
  9. Review
  10. Article
  11. Article
  12. Article
  13. Article
  14. Review
  15. Article
  16. Metabologenomics analysis ofFrontiers in microbiology · 2023
    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

18 authors.

Tiago F LeãoCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0003-1034-9153
Mingxun WangCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-7647-6097
Ricardo da SilvaNPPNS, Physic and Chemistry Department, School of Pharmaceutical Sciences of Ribeirão Preto, University of São Paulo, Ribeirão Preto 14040-900, Brazil.ORCID https://orcid.org/0000-0001-6378-0479
Alexey GurevichCenter for Algorithmic Biotechnology, St. Petersburg State University, St Petersburg 199004, Russia.ORCID https://orcid.org/0000-0002-5855-3519
Anelize BauermeisterCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-9731-6172
Paulo Wender P GomesCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-5478-2448
Asker BrejnrodCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0002-1327-2051
Evgenia GlukhovCenter for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-6513-9909
Allegra T AronCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.
Joris J R LouwenBioinformatics Group, Wageningen University, 6708 PB Wageningen, The Netherlands.ORCID https://orcid.org/0000-0003-4887-9109
Hyun Woo KimCollege of Pharmacy and Integrated Research Institute for Drug Development, Dongguk University, Gyeonggi-do 10326, Korea.
Raphael ReherInstitute of Pharmaceutical Biology and Biotechnology, University of Marburg, 35043 Marburg, Germany.ORCID https://orcid.org/0000-0002-5858-1173
Marli F FioreCenter for Nuclear Energy in Agriculture, University of São Paulo, Piracicaba 13400-970, SP, Brazil.ORCID https://orcid.org/0000-0003-2555-7967
Justin J J van der HooftBioinformatics Group, Wageningen University, 6708 PB Wageningen, The Netherlands.ORCID https://orcid.org/0000-0002-9340-5511
Lena GerwickCenter for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-6108-9000
William H GerwickCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0003-1403-4458
Nuno BandeiraCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0001-8385-3655
Pieter C DorresteinCollaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA 92093, USA.ORCID https://orcid.org/0000-0002-3003-1030

Funding

Unified Computation Tools for Natural Products ResearchR01GM107550 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI COTTRELL, GARRISON W, GERWICK, WILLIAM HENRY · 2013 to 2025
$8.2M
Development of an efficient cyanobacterial platform for heterologous expression and biosynthetic interrogations of natural products.R01GM118815 · NIGMS · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI GERWICK, LENA, GERWICK, WILLIAM HENRY · 2017 to 2020
$1.2M
NIGMS NIH HHS R01 GM107550NIGMS NIH HHS R01 GM118815
6 · The paper itself

Abstract

Microbial specialized metabolites are an important source of and inspiration for many pharmaceuticals, biotechnological products and play key roles in ecological processes. Untargeted metabolomics using liquid chromatography coupled with tandem mass spectrometry is an efficient technique to access metabolites from fractions and even environmental crude extracts. Nevertheless, metabolomics is limited in predicting structures or bioactivities for cryptic metabolites. Efficiently linking the biosynthetic potential inferred from (meta)genomics to the specialized metabolome would accelerate drug discovery programs by allowing metabolomics to make use of genetic predictions. Here, we present a

Indexed as

biosynthetic gene clustersgenomicsmachine learningmass spectrometryspecialized metabolites

Identifiers

PMID36712343
PMCPMC9802219

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.