Evidence map›Paper›PMID 39919314›Full record

ArticleJournal of natural products2025

Machine Learning-Based Bioactivity Classification of Natural Products Using LC-MS/MS Metabolomics.

Nathaniel J Brittin, Josephine M Anderson, Doug R Braun, Scott R Rajski, Cameron R Currie, Tim S Bugni

Abstract read
In one paragraph

Article in Journal of natural products, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing 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

9 citing papers in PubMed.

  1. Review
  2. Review
  3. Article
  4. Identification of Deoxy- andJournal of natural products · 2026
    Article
  5. Article
  6. Article
  7. Review
  8. Review
  9. 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

6 authors.

Nathaniel J BrittinPharmaceutical Sciences Division, University of Wisconsin-Madison, Madison, Wisconsin 53705, United States.ORCID 0009-0004-4309-7735
Josephine M AndersonPharmaceutical Sciences Division, University of Wisconsin-Madison, Madison, Wisconsin 53705, United States.
Doug R BraunPharmaceutical Sciences Division, University of Wisconsin-Madison, Madison, Wisconsin 53705, United States.
Scott R RajskiPharmaceutical Sciences Division, University of Wisconsin-Madison, Madison, Wisconsin 53705, United States.
Cameron R CurrieDepartment of Biochemistry and Biomedical Sciences, M.G. DeGroote Institute for Infectious Disease Research, David Braley Centre for Antibiotic Discovery, McMaster University, Hamilton, Ontario L8S 4L8, Canada.
Tim S BugniPharmaceutical Sciences Division, University of Wisconsin-Madison, Madison, Wisconsin 53705, United States.ORCID 0000-0002-4502-3084

Funding

UW COMPREHENSIVE CANCER CENTER SUPPORTP30CA014520 · NCI · UNIVERSITY OF WISCONSIN-MADISON · PI Justine Yang Bruce · 1985 to 2026
$142.6M
Novel antimicrobials targeting MDR pathogens from animal microbial symbiontsU19AI142720 · NIAID · UNIVERSITY OF WISCONSIN-MADISON · PI SAFDAR, NASIA · 2019 to 2023
$30.1M
NCI NIH HHS P30 CA014520NIAID NIH HHS U19 AI142720
6 · The paper itself

Abstract

The rediscovery of known drug classes represents a major challenge in natural products drug discovery. Compound rediscovery inhibits the ability of researchers to explore novel natural products and wastes significant amounts of time and resources. This study introduces a novel machine learning framework that can effectively characterize the bioactivity of natural products by leveraging liquid chromatography tandem mass spectrometry and untargeted metabolomics analysis. This accelerates natural product drug discovery by addressing the challenge of dereplicating previously discovered bioactive compounds. Utilizing the SIRIUS 5 metabolomics software suite and

Indexed as

Biological ProductsMachine LearningMetabolomicsTandem Mass SpectrometryChromatography, LiquidDrug DiscoveryLiquid Chromatography-Mass SpectrometryMolecular StructureSoftwareBiological Products

Identifiers

PMID39919314
PMCPMC12927030

What OpenQuestion holds

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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.