| Autor: |
Igor V. Tetko, Pavel Karpov, Ruud Van Deursen, Guillaume Godin |
| Jazyk: |
angličtina |
| Rok vydání: |
2020 |
| Předmět: |
|
| Zdroj: |
Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020) |
| Druh dokumentu: |
article |
| ISSN: |
2041-1723 |
| DOI: |
10.1038/s41467-020-19266-y |
| Popis: |
Development of algorithms to predict reactant and reagents given a target molecule is key to accelerate retrosynthesis approaches. Here the authors demonstrate that applying augmentation techniques to the SMILE representation of target data significantly improves the quality of the reaction predictions. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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