Evidence map›Paper›PMID 40262040›Full record

ArticleJournal of chemical information and modeling2025

Modeling Chemical Reaction Networks Using Neural Ordinary Differential Equations.

Anna C M Thöni, William E Robinson, Yoram Bachrach, Wilhelm T S Huck, Tal Kachman

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

5 authors.

Anna C M ThöniDonders Centre for Cognition, Radboud University, Nijmegen 9103 6500 HD, The Netherlands.ORCID 0009-0002-0213-6043
William E RobinsonInstitute for Molecules and Materials, Radboud University, Nijmegen 9010 6500 GL, The Netherlands.ORCID 0000-0002-7627-0192
Yoram BachrachMeta FAIR, London N1C 4DB, United Kingdom.
Wilhelm T S HuckInstitute for Molecules and Materials, Radboud University, Nijmegen 9010 6500 GL, The Netherlands.ORCID 0000-0003-4222-5411
Tal KachmanDonders Centre for Cognition, Radboud University, Nijmegen 9103 6500 HD, The Netherlands.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equation systems is derived from an empirical model of the reaction network, it may be incomplete. Our approach aims to elucidate these hidden insights in the reaction network by combining dynamic modeling with deep learning in the form of neural ordinary differential equations. Our contributions not only help to identify the shortcomings of existing empirical models but also assist the design of future reaction networks.

Indexed as

Models, ChemicalNeural Networks, ComputerDeep Learning

Identifiers

PMID40262040
PMCPMC12076499

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.