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Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention
[Image: see text] As a fundamental problem in chemistry, retrosynthesis aims at designing reaction pathways and intermediates for a target compound. The goal of artificial intelligence (AI)-aided retrosynthesis is to automate this process by learning from the previous chemical reactions to make new...
| 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/PMC8549044/ https://www.ncbi.nlm.nih.gov/pubmed/34723264 http://dx.doi.org/10.1021/jacsau.1c00246 |