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Catalysis

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Organic Chemistry

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Theoretical and Computational Chemistry

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Grazziela Figueredo

2 results in Authors: Grazziela Figueredo

Theoretical and Computational Chemistry

Describing Chiral Ligands in Palladium-catalyzed Decarboxylative Asymmetric Allylic Allylation: A Critical Comparison of Three Machine Learning Approaches

Declan Galvin, Eduardo Alberto Aguilar Bejarano, David M. Rogers, Simon Woodward, Ender Özcan, Patrick J. Guiry, Grazziela Figueredo

Version 2 posted 13 May 2024

400

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HCat-GNet: An Interpretable Graph Neural Network for Catalysis Optimization

Eduardo Alberto Aguilar Bejarano, Grazziela Figueredo, Simon Woodward, Hon Wai Lam, Ender Özcan, Raja Rit

Version 1 posted 22 February 2024

638

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