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Influence of Template Size, Canonicalization, and Exclusivity for Retrosynthesis and Reaction Prediction Applications
[Image: see text] Heuristic and machine learning models for rank-ordering reaction templates comprise an important basis for computer-aided organic synthesis regarding both product prediction and retrosynthetic pathway planning. Their viability relies heavily on the quality and characteristics of th...
| Autores principales: | , , , |
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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/PMC8757433/ https://www.ncbi.nlm.nih.gov/pubmed/34939786 http://dx.doi.org/10.1021/acs.jcim.1c01192 |