Uncertainty-aware prediction of chemical reaction yields with graph neural networks
- Location
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Deutsche Nationalbibliothek Frankfurt am Main
- ISSN
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1758-2946
- Extent
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Online-Ressource
- Language
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Englisch
- Notes
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online resource.
- Bibliographic citation
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Uncertainty-aware prediction of chemical reaction yields with graph neural networks ; volume:14 ; number:1 ; day:10 ; month:1 ; year:2022 ; pages:1-10 ; date:12.2022
Journal of cheminformatics ; 14, Heft 1 (10.1.2022), 1-10, 12.2022
- Creator
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Kwon, Youngchun
Lee, Dongseon
Choi, Youn-Suk
Kang, Seokho
- Contributor
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SpringerLink (Online service)
- DOI
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10.1186/s13321-021-00579-z
- URN
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urn:nbn:de:101:1-2022042423334616509816
- Rights
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Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
- Last update
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15.08.2025, 7:36 AM CEST
Data provider
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Associated
- Kwon, Youngchun
- Lee, Dongseon
- Choi, Youn-Suk
- Kang, Seokho
- SpringerLink (Online service)
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Atmospheric photooxidation and ozonolysis of sabinene: Reaction rate constants, product yields and chemical budget of radicals
Development of an uncertainty quantification predictive chemical reaction model for syngas combustion
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