"Augmenting optimization-based molecular design with graph neural networks."

Shiqiang Zhang et al. (2024)

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DOI: 10.1016/J.COMPCHEMENG.2024.108684

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type: Journal Article

metadata version: 2024-10-06

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Shiqiang Zhang, Juan S. Campos, Christian Feldmann, Frederik Sandfort, Miriam Mathea, Ruth Misener:
Augmenting optimization-based molecular design with graph neural networks. Comput. Chem. Eng. 186: 108684 (2024)

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