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RetroRanker: leveraging reaction changes to improve retrosynthesis prediction through re-ranking
Retrosynthesis is an important task in organic chemistry. Recently, numerous data-driven approaches have achieved promising results in this task. However, in practice, these data-driven methods might lead to sub-optimal outcomes by making predictions based on the training data distribution, a phenom...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10249296/ https://www.ncbi.nlm.nih.gov/pubmed/37291642 http://dx.doi.org/10.1186/s13321-023-00727-7 |