$$\texttt {DiffER}$$ DiffER : categorical diffusion ensembles for single-step chemical retrosynthesis
Abstract Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through transformer neural networks. These models have demonstrated significant ability to translate between the SMILES en...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-07-01
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| Series: | Journal of Cheminformatics |
| Online Access: | https://doi.org/10.1186/s13321-025-01056-7 |
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