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EHreact: Extended Hasse Diagrams for the Extraction and Scoring of Enzymatic Reaction Templates
[Image: see text] 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 re...
Autores principales: | Heid, Esther, Goldman, Samuel, Sankaranarayanan, Karthik, Coley, Connor W., Flamm, Christoph, Green, William H. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8549070/ https://www.ncbi.nlm.nih.gov/pubmed/34587449 http://dx.doi.org/10.1021/acs.jcim.1c00921 |
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