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When Do Quantum Mechanical Descriptors Help Graph Neural Networks Predict Chemical Properties?

Submitted on

Title

When Do Quantum Mechanical Descriptors Help Graph Neural Networks Predict Chemical Properties?

Publication Type
Journal Article
Year of Publication
2024

Authors List

Shih-Cheng Li, Haoyang Wu, Angiras Menon; Kevin A. Spiekermann, Yi-Pei Li, William H. Green

Authors

Journal
Journal of the American Chemical Society
Volume
146
Issue
33
Pages
23103Ð23120

Keywords

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Short Title
Journal of the American Chemical Society