Evidence map›Paper›PMID 39686685›Full record

ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2025

AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers.

Yiwen Zheng, Prakash Thakolkaran, Agni K Biswal, Jake A Smith, Ziheng Lu, Shuxin Zheng, Bichlien H Nguyen, Siddhant Kumar, Aniruddh Vashisth

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Polymer-Agent: Large Language Model Agent for Polymer Design.Journal of chemical information and modeling · 2026
    Article
  2. Review
  3. Learning nature's assembly language with polymers.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  4. Review
  5. AI-Guided Inverse Design and Discovery of Recyclable Vitrimeric Polymers.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025
    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.

Yiwen ZhengDepartment of Mechanical Engineering, University of Washington, Seattle, WA, 98195, USA.
Prakash ThakolkaranDepartment of Materials Science and Engineering, Delft University of Technology, Delft, CD, 2628, The Netherlands.
Agni K BiswalDepartment of Mechanical Engineering, University of Washington, Seattle, WA, 98195, USA.
Jake A SmithMicrosoft Research, Redmond, WA, 98052, USA.
Ziheng LuMicrosoft Research Asia, Beijing, 100080, China.
Shuxin ZhengMicrosoft Research Asia, Beijing, 100080, China.
Bichlien H NguyenMicrosoft Research, Redmond, WA, 98052, USA.
Siddhant KumarDepartment of Materials Science and Engineering, Delft University of Technology, Delft, CD, 2628, The Netherlands.
Aniruddh VashisthDepartment of Mechanical Engineering, University of Washington, Seattle, WA, 98195, USA.ORCID https://orcid.org/0000-0002-4740-1296

Funding

Microsoft ResearchNederlandse Organisatie voor Wetenschappelijk OnderzoekUniversity of Washington
6 · The paper itself

Abstract

Vitrimer is a new, exciting class of sustainable polymers with healing abilities due to their dynamic covalent adaptive networks. However, a limited choice of constituent molecules restricts their property space and potential applications. To overcome this challenge, an innovative approach coupling molecular dynamics (MD) simulations and a novel graph variational autoencoder (VAE) model for inverse design of vitrimer chemistries with desired glass transition temperature (T

Indexed as

generative modelsmachine learningmaterials designmolecular dynamicsrecyclable polymersvitrimers

Identifiers

PMID39686685
PMCPMC11809429

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.