Evidence map›Paper›PMID 32453589›Full record

ArticleJournal of chemical information and modeling2020

Machine Learning Algorithm Identifies an Antibiotic Vocabulary for Permeating Gram-Negative Bacteria.

Rachael A Mansbach, Inga V Leus, Jitender Mehla, Cesar A Lopez, John K Walker, Valentin V Rybenkov, Nicolas W Hengartner, Helen I Zgurskaya, S Gnanakaran

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
22citing papers in PubMed, 1 pooled it
–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

22 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
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  11. ACS infectious diseases · 2022
    Article
  12. Article
  13. Article
  14. Machine Learning in Antibacterial Drug Design.Frontiers in pharmacology · 2022
    Review
  15. Review
  16. Artificial Intelligence and Antibiotic Discovery.Antibiotics (Basel, Switzerland) · 2021
    Review
  17. Challenges in Drug Discovery for Intracellular Bacteria.Pathogens (Basel, Switzerland) · 2021
    Article
  18. Review
  19. Outer membrane permeability: Antimicrobials and diverse nutrients bypass porins inProceedings of the National Academy of Sciences of the United States of America · 2021
    Article
  20. 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

9 authors.

Rachael A MansbachDepartment of Theoretical Biology and Biophysics, Los Alamos National Lab, MS-K710, P.O. Box 1663, Los Alamos, New Mexico 87545-0001, United States.ORCID 0000-0002-6738-1261
Inga V LeusDepartment of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Parkway, SLSRC, Rm 1000, Norman, Oklahoma 73019-5251, United States.
Jitender MehlaDepartment of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Parkway, SLSRC, Rm 1000, Norman, Oklahoma 73019-5251, United States.
Cesar A LopezDepartment of Theoretical Biology and Biophysics, Los Alamos National Lab, MS-K710, P.O. Box 1663, Los Alamos, New Mexico 87545-0001, United States.
John K WalkerPharmacology and Physiological Science, School of Medicine, Saint Louis University, Schwitalla Hall, Room M362, St. Louis, Missouri 63104, United States.
Valentin V RybenkovDepartment of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Parkway, SLSRC, Rm 1000, Norman, Oklahoma 73019-5251, United States.ORCID 0000-0002-5300-4369
Nicolas W HengartnerDepartment of Theoretical Biology and Biophysics, Los Alamos National Lab, MS-K710, P.O. Box 1663, Los Alamos, New Mexico 87545-0001, United States.
Helen I ZgurskayaDepartment of Chemistry and Biochemistry, University of Oklahoma, 101 Stephenson Parkway, SLSRC, Rm 1000, Norman, Oklahoma 73019-5251, United States.ORCID 0000-0001-8929-4727
S GnanakaranDepartment of Theoretical Biology and Biophysics, Los Alamos National Lab, MS-K710, P.O. Box 1663, Los Alamos, New Mexico 87545-0001, United States.

Funding

Optimization of efflux avoidance and inhibition for antibiotic developmentR01AI136799 · NIAID · UNIVERSITY OF OKLAHOMA · PI GNANAKARAN, SANDRASEGARAM, RUGGERONE, PAOLO · 2018 to 2022
$5.7M
NIAID NIH HHS R01 AI136799
6 · The paper itself

Abstract

Drug discovery faces a crisis. The industry has used up the "obvious" space in which to find novel drugs for biomedical applications, and productivity is declining. One strategy to combat this is rational approaches to expand the search space without relying on chemical intuition, to avoid rediscovery of similar spaces. In this work, we present proof of concept of an approach to rationally identify a "chemical vocabulary" related to a specific drug activity of interest without employing known rules. We focus on the pressing concern of multidrug resistance in

Indexed as

Anti-Bacterial AgentsVocabularyAlgorithmsGram-Negative BacteriaMachine LearningPseudomonas aeruginosaAnti-Bacterial Agents

Identifiers

PMID32453589
PMCPMC7768862

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.