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G(2)Retro as a two-step graph generative models for retrosynthesis prediction
Retrosynthesis is a procedure where a target molecule is transformed into potential reactants and thus the synthesis routes can be identified. Recently, computational approaches have been developed to accelerate the design of synthesis routes. In this paper,we develop a generative framework G(2)Retr...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10229662/ https://www.ncbi.nlm.nih.gov/pubmed/37253928 http://dx.doi.org/10.1038/s42004-023-00897-3 |