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CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
In computer-assisted synthesis planning (CASP) programs, providing as many chemical synthetic routes as possible is essential for considering optimal and alternative routes in a chemical reaction network. As the majority of CASP programs have been designed to provide one or a few optimal routes, it...
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| 發表在: | J Cheminform |
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| Main Authors: | , , , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Springer International Publishing
2020
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| 主題: | |
| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7465358/ https://ncbi.nlm.nih.gov/pubmed/33431005 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00452-5 |
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