Evidence map›Paper›PMID 34959282›Full record

ArticlePharmaceutics2021

Machine Learning Predicts Drug Metabolism and Bioaccumulation by Intestinal Microbiota.

Laura E McCoubrey, Stavriani Thomaidou, Moe Elbadawi, Simon Gaisford, Mine Orlu, Abdul W Basit

Abstract read
In one paragraph

Article in Pharmaceutics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.

0numbers the graph read from it
0cells of the map it votes in
14citing 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

14 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Review
  5. Integrating the gut microbiome and pharmacology.Science translational medicine · 2024
    Review
  6. Article
  7. Machine learning model of imipenem-resistantHealth science reports · 2023
    Article
  8. Review
  9. Review
  10. Article
  11. Review
  12. Review
  13. Machine Learning in Drug Metabolism Study.Current drug metabolism · 2022
    Article
  14. 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

6 authors.

Laura E McCoubreyDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.
Stavriani ThomaidouDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.
Moe ElbadawiDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.
Simon GaisfordDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.ORCID 0000-0003-1000-3208
Mine OrluDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.ORCID 0000-0002-2047-5025
Abdul W BasitDepartment of Pharmaceutics, UCL School of Pharmacy, University College London, London WC1N 1AX, UK.ORCID 0000-0002-5368-6603

Funding

Engineering and Physical Sciences Research Council EP/S023054/1
6 · The paper itself

Abstract

Over 150 drugs are currently recognised as being susceptible to metabolism or bioaccumulation (together described as depletion) by gastrointestinal microorganisms; however, the true number is likely higher. Microbial drug depletion is often variable between and within individuals, depending on their unique composition of gut microbiota. Such variability can lead to significant differences in pharmacokinetics, which may be associated with dosing difficulties and lack of medication response. In this study, literature mining and unsupervised learning were used to curate a dataset of 455 drug-microbiota interactions. From this, 11 supervised learning models were developed that could predict drugs' susceptibility to depletion by gut microbiota. The best model, a tuned extremely randomised trees classifier, achieved performance metrics of AUROC: 75.1% ± 6.8; weighted recall: 79.2% ± 3.9; balanced accuracy: 69.0% ± 4.6; and weighted precision: 80.2% ± 3.7 when validated on 91 drugs. This machine learning model is the first of its kind and provides a rapid, reliable, and resource-friendly tool for researchers and industry professionals to screen drugs for susceptibility to depletion by gut microbiota. The recognition of drug-microbiome interactions can support successful drug development and promote better formulations and dosage regimens for patients.

Indexed as

artificial intelligenceclassificationdrug discovery and developmentdrug stabilityfeature selectiongastrointestinal microbiomein silico predictionpharmacokineticsprincipal component analysissemi-supervised learning

Identifiers

PMID34959282
PMCPMC8707855

What OpenQuestion holds

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LicenceCC BY
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.