Evidence map›Paper›PMID 40278836›Full record

ReviewChemical Society reviews2025

Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry.

Austin M Mroz, Annabel R Basford, Friedrich Hastedt, Isuru Shavindra Jayasekera, Irea Mosquera-Lois, Ruby Sedgwick, Pedro J Ballester, Joshua D Bocarsly, Ehecatl Antonio Del Río Chanona, Matthew L Evans and 9 more

Abstract readReview
In one paragraph

Review in Chemical Society reviews, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

  1. Article
  2. Artificial Intelligence-Guided Phenotypic Drug Repurposing Against Streptococcus pneumoniae.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  3. Review
  4. Article
  5. Article
  6. Article
  7. Article
  8. Review
  9. Review
  10. Article
  11. 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

19 authors.

Austin M MrozDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.ORCID http://orcid.org/0000-0003-4166-8093
Annabel R BasfordDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.
Friedrich HastedtDepartment of Chemical Engineering, Imperial College London, London SW7 2AZ, UK.ORCID http://orcid.org/0009-0009-3915-991X
Isuru Shavindra JayasekeraDepartment of Mathematics, Imperial College London, London SW7 2AZ, UK.
Irea Mosquera-LoisDepartment of Materials, Imperial College London, London SW7 2AZ, UK.ORCID http://orcid.org/0000-0001-7651-0814
Ruby SedgwickDepartment of Computing, Imperial College London, London SW7 2AZ, UK.
Pedro J BallesterDepartment of Bioengineering, Imperial College London, London SW7 2AZ, UK.ORCID http://orcid.org/0000-0002-4078-743X
Joshua D BocarslyDepartment of Chemistry and Texas Center for Superconductivity, University of Houston, Houston, USA.
Ehecatl Antonio Del Río ChanonaDepartment of Chemical Engineering, Imperial College London, London SW7 2AZ, UK.
Matthew L EvansUCLouvain, Institute of Condensed Matter and Nanosciences (IMCN), Chemin des Étoiles 8, Louvain-la-Neuve 1348, Belgium.ORCID http://orcid.org/0000-0002-1182-9098
Jarvist M FrostDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.
Alex M GanoseDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.ORCID http://orcid.org/0000-0002-4486-3321
Rebecca L GreenawayDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.ORCID http://orcid.org/0000-0003-1541-4399
King Kuok Mimi HiiDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.ORCID http://orcid.org/0000-0002-1163-0505
Yingzhen LiDepartment of Computing, Imperial College London, London SW7 2AZ, UK.
Ruth MisenerDepartment of Computing, Imperial College London, London SW7 2AZ, UK.
Aron WalshDepartment of Materials, Imperial College London, London SW7 2AZ, UK.ORCID http://orcid.org/0000-0001-5460-7033
Dandan ZhangI-X Centre for AI in Science, Imperial College London, London W12 0BZ, UK.
Kim E JelfsDepartment of Chemistry, Imperial College London, London W12 0BZ, UK. k.jelfs@imperial.ac.uk.ORCID http://orcid.org/0000-0001-7683-7630

Funding

Wellcome Trust
6 · The paper itself

Abstract

From accelerating simulations and exploring chemical space, to experimental planning and integrating automation within experimental labs, artificial intelligence (AI) is changing the landscape of chemistry. We are seeing a significant increase in the number of publications leveraging these powerful data-driven insights and models to accelerate all aspects of chemical research. For example, how we represent molecules and materials to computer algorithms for predictive and generative models, as well as the physical mechanisms by which we perform experiments in the lab for automation. Here, we present ten diverse perspectives on the impact of AI coming from those with a range of backgrounds from experimental chemistry, computational chemistry, computer science, engineering and across different areas of chemistry, including drug discovery, catalysis, chemical automation, chemical physics, materials chemistry. The ten perspectives presented here cover a range of themes, including AI for computation, facilitating discovery, supporting experiments, and enabling technologies for transformation. We highlight and discuss imminent challenges and ways in which we are redefining problems to accelerate the impact of chemical research

Identifiers

PMID40278836
PMCPMC12024683

What OpenQuestion holds

Textmetadata
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.