EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates

Data-driven computer-aided synthesis planning utilizing organic or biocatalyzed reactions from large databases has gained increasing interest in the last decade, sparking the development of numerous tools to extract, apply, and score general reaction templates. The generation of reaction rules for e...

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Bibliographic Details
Main Authors: Heid, Esther (Author), Goldman, Samuel (Author), Sankaranarayanan, Karthik (Author), Coley, Connor Wilson (Author), Flamm, Christoph (Author), Green Jr, William H (Author)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Computational and Systems Biology Program (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2021-10-26T15:38:43Z.
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