Juni 11, 2024 In Unkategorisiert
Increasing the chemical area the usage of a chemical response wisdom graph
Digital Discovery, 2024, Advance Article
DOI: 10.1039/D3DD00230F, Paper
DOI: 10.1039/D3DD00230F, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Emma Rydholm, Tomas Bastys, Emma Svensson, Christos Kannas, Ola Engkvist, Thierry Kogej
Expanding the chemical space by inferring new chemical reactions through link prediction (SEAL) in a Chemical Reaction Knowledge Graph (CRKG). From high probability links, de novo products can be generated using a molecular transformer (Chemformer).
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
Expanding the chemical space by inferring new chemical reactions through link prediction (SEAL) in a Chemical Reaction Knowledge Graph (CRKG). From high probability links, de novo products can be generated using a molecular transformer (Chemformer).
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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