Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery.

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Title: Sequential closed-loop Bayesian optimization as a guide for organic molecular metallophotocatalyst formulation discovery.
Authors: Li X; Key Laboratory of the Ministry of Education for Advanced Catalysis Materials, Zhejiang Key Laboratory for Reactive Chemistry on Solid Surfaces, Zhejiang Normal University, Jinhua, China. xiaobo.li@zjnu.edu.cn.; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK. xiaobo.li@zjnu.edu.cn., Che Y; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK., Chen L; School of Chemistry and School of Computer Science, University of Birmingham, Birmingham, UK. l.j.chen@bham.ac.uk., Liu T; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK., Wang K; Department of Chemistry and Chemical Engineering, Shanxi Datong University, Datong, China., Liu L; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK., Yang H; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK., Pyzer-Knapp EO; IBM Research, Daresbury, UK. epyzerk3@uk.ibm.com., Cooper AI; Materials Innovation Factory and Department of Chemistry, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.; Leverhulme Research Centre for Functional Materials Design, University of Liverpool, Liverpool, UK. aicooper@liverpool.ac.uk.
Source: Nature chemistry [Nat Chem] 2024 Aug; Vol. 16 (8), pp. 1286-1294. Date of Electronic Publication: 2024 Jun 11.
Publication Type: Journal Article
Journal Info: Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101499734 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1755-4349 (Electronic) Linking ISSN: 17554330 NLM ISO Abbreviation: Nat Chem Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
Description
ISSN:1755-4349
DOI:10.1038/s41557-024-01546-5