April 19, 2024 In Unkategorisiert
Benchmarking machine-readable vectors of chemical reactions on computed activation limitations
Digital Discovery, 2024, Advance Article
DOI: 10.1039/D3DD00175J, Paper
DOI: 10.1039/D3DD00175J, Paper
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Puck van Gerwen, Ksenia R. Briling, Yannick Calvino Alonso, Malte Franke, Clemence Corminboeuf
We benchmark various methods for the prediction of computed activation barriers on three diverse datasets.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
We benchmark various methods for the prediction of computed activation barriers on three diverse datasets.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
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