Publications

Graphical Abstract of Publication 1

Homogeneous catalyst graph neural network: A human-interpretable graph neural network tool for ligand optimization in asymmetric catalysis

Eduardo Aguilar-Bejarano , Ender Özcan, Raja K. Rit, Hon Wai Lam, Simon Woodward, and Grazziela Figueredo

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Graphical Abstract of Publication 4

Data Checking of Asymmetric Catalysis Literature Using a Graph Neural Network Approach

Eduardo Aguilar-Bejarano, Viraj Deorukhkar, and Simon Woodward

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Graphical Abstract of Publication 3

Explainable GNN-Derived Structure-Property Relationships in Interstitial-Alloy Materials

Eduardo Aguilar-Bejarano, Luis Arrieta, Mauricio Gutierrez, Ender Özcan, Simon Woodward, Grazziela Figueredo, Ignacio Borge-Durán

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Graphical Abstract of Publication 2

Describing Chiral Ligands in Palladium-catalyzed Decarboxylative Asymmetric Allylic Allylation

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

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