"Mixed-integer optimisation of graph neural networks for computer-aided ..."

Tom McDonald et al. (2024)

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DOI: 10.1016/J.COMPCHEMENG.2024.108660

access: open

type: Journal Article

metadata version: 2024-12-09

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Tom McDonald, Calvin Tsay, Artur M. Schweidtmann, Neil Yorke-Smith:
Mixed-integer optimisation of graph neural networks for computer-aided molecular design. Comput. Chem. Eng. 185: 108660 (2024)

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