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RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction
The main target of retrosynthesis is to recursively decompose desired molecules into available building blocks. Existing template-based retrosynthesis methods follow a template selection stereotype and suffer from limited training templates, which prevents them from discovering novel reactions. To o...
Autores principales: | Yan, Chaochao, Zhao, Peilin, Lu, Chan, Yu, Yang, Huang, Junzhou |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9496376/ https://www.ncbi.nlm.nih.gov/pubmed/36139164 http://dx.doi.org/10.3390/biom12091325 |
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