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Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts

Title
Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts
Type
Article in International Scientific Journal
Year
2024-02-26
Authors
Natalia N D S Cordeiro
(Author)
FCUP
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Journal
Vol. 48
Pages: 5097-5100
ISSN: 1144-0546
Indexing
Publicação em ISI Web of Knowledge ISI Web of Knowledge - 0 Citations
Publicação em Scopus Scopus - 0 Citations
Other information
Authenticus ID: P-010-1NR
Abstract (EN): This communication presents a novel approach to set up a machine learning-ready database for epoxidation reactions, focusing on vanadium catalysts. Utilising data driven analysis, we identified key reaction yield trends through chemical descriptors, providing insights for catalyst design and reaction optimisation. This communication presents a novel approach to set up a machine learning-ready database for epoxidation reactions, focusing on vanadium catalysts.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 4
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