Evidence map›Paper›PMID 38829777›Full record

ArticleJournal of chemical theory and computation2024

Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jl.

Joe Gilkes, Mark T Storr, Reinhard J Maurer, Scott Habershon

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Review
  2. Review
  3. 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

4 authors.

Joe GilkesDepartment of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, U.K.ORCID 0000-0002-1864-4571
Mark T StorrAWE Aldermaston, Reading, Berkshire RG7 4PR, U.K.
Reinhard J MaurerDepartment of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, U.K.ORCID 0000-0002-3004-785X
Scott HabershonDepartment of Chemistry, University of Warwick, Gibbet Hill Road, CV4 7AL Coventry, U.K.ORCID 0000-0001-5932-6011

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Predicting the degradation processes of molecules over long time scales is a key aspect of industrial materials design. However, it is made computationally challenging by the need to construct large networks of chemical reactions that are relevant to the experimental conditions that kinetic models must mirror, with every reaction requiring accurate kinetic data. Here, we showcase

Identifiers

PMID38829777
PMCPMC11209948

What OpenQuestion holds

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LicenceCC BY
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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.