Cargando…
Retrosynthesis with attention-based NMT model and chemical analysis of “wrong” predictions
We consider retrosynthesis to be a machine translation problem. Accordingly, we apply an attention-based and completely data-driven model named Tensor2Tensor to a data set comprising approximately 50 000 diverse reactions extracted from the United States patent literature. The model significantly ou...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9047528/ https://www.ncbi.nlm.nih.gov/pubmed/35494683 http://dx.doi.org/10.1039/c9ra08535a |