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Corrosion Science, 209 (2022) 110780. doi:10.1016/j.corsci.2022.110780
Corrosion inhibitors
Molecular structure
Machine learning
Message passing neural network
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Cross-category prediction of corrosion inhibitor performance based on molecular graph structures via a three-level message passing neural network model
Jiaxin Dai
Dongmei Fu
Guangxuan Song
Lingwei Ma
Xin Guo
Arjan Mol
Ivan Cole
Dawei Zhang
journal
Corrosion Science
© 2022 Elsevier Ltd. All rights reserved.
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1 December 2022
2022-12-01
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