Evidence map›Paper›PMID 41363774›Full record

ArticleAngewandte Chemie (International ed. in English)2026

Design and Experimental Validation of a Photocatalyst Recommender Based on a Large Language Model.

Francis Millward, Michał Kulczykowski, Jay Badland-Shaw, Sara Szymkuc, Rajan Suraksha, Aniket Kumar Srivastawa, Violaine Manet, Máire Griffin, Megan Bryden, Thomas Comerford and 4 more

Abstract read
In one paragraph

Article in Angewandte Chemie (International ed. in English), 2026. 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

14 authors.

Francis Millward *Organic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Michał Kulczykowski *Allchemy, Inc., Highland, Indiana, 46322, USA.
Jay Badland-ShawOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Sara SzymkucAllchemy, Inc., Highland, Indiana, 46322, USA.
Rajan SurakshaOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Aniket Kumar SrivastawaOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Violaine ManetOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Máire GriffinOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Megan BrydenOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Thomas ComerfordOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Lea HämmerlingOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Aminata MarikoOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.
Bartosz A GrzybowskiCenter for Algorithmic and Robotized Synthesis (CARS) of Korea's Institute for Basic Science (IBS) and Department of Chemistry, Ulsan National Institute of Science and Technology, 50 UNIST-gil, Eonyang-eup, Ulju-gun, Ulsan, South Korea.
Eli Zysman-ColmanOrganic Semiconductor Centre, EaStCHEM School of Chemistry, University of St Andrews, St Andrews, KY16 9ST, UK.ORCID https://orcid.org/0000-0001-7183-6022

Funding

Engineering and Physical Sciences Research Council EP/W007517/1Engineering and Physical Sciences Research Council EP/W015137/1Engineering and Physical Sciences Research Council EP/W522259/1Engineering and Physical Sciences Research Council EP/Z535291/1European Commission 956324Institute for Basic Science IBS-R020-D1Leverhulme Trust RPG-2023-110
6 · The paper itself

Abstract

Utilizing an extensive library of literature on photocatalytic transformations, we disclose the development of a machine learning (ML) model for the recommendation of photocatalysts most suitable for reactions of interest. The model is trained on > 36 000 such literature examples and uses an architecture inspired by the Bidirectional Encoder Representations from Transformer (BERT) large language model. Under cross-validation, it can suggest the "correct" photocatalysts with ∼90% accuracy. When experimentally tested on five out-of-box reactions, this algorithm consistently suggested photocatalysts that gave yields competitive to those chosen by human researchers and frequently suggested alternative photocatalysts that are potentially more appealing than the originally selected photocatalyst. Altogether, this platform serves as a valuable tool for researchers undertaking reaction optimization programs. The model is free to use at https://photocatals.grzybowskigroup.pl/predict/.

Indexed as

Large language modelsMachine learningPhotocatalysis

Identifiers

PMID41363774
PMCPMC12828469

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.