Chemical reaction networks and opportunities for machine learning
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computer Networks and Communications,Computer Science Applications,Computer Science (miscellaneous)
Link
https://www.nature.com/articles/s43588-022-00369-z.pdf
Reference150 articles.
1. Manion, J. A., Sheen, D. A. & Awan, I. A. Evaluated kinetics of the reactions of H and CH3 with n-alkanes: experiments with n-butane and a combustion model reaction network analysis. J. Phys. Chem. A 119, 7637–7658 (2015).
2. Gao, C. W., Allen, J. W., Green, W. H. & West, R. H. Reaction mechanism generator: automatic construction of chemical kinetic mechanisms. Comput. Phys. Commun. 203, 212–225 (2016).
3. Kim, Y., Kim, J. W., Kim, Z. & Kim, W. Y. Efficient prediction of reaction paths through molecular graph and reaction network analysis. Chem. Sci. 9, 825–835 (2018).
4. Ulissi, Z. W., Medford, A. J., Bligaard, T. & Nørskov, J. K. To address surface reaction network complexity using scaling relations machine learning and DFT calculations. Nat. Commun. 8, 14621 (2017).
5. Steiner, M. & Reiher, M. Autonomous reaction network exploration in homogeneous and heterogeneous catalysis. Top. Catal. 65, 6–39 (2022).
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