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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...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465358/ https://www.ncbi.nlm.nih.gov/pubmed/33431005 http://dx.doi.org/10.1186/s13321-020-00452-5 |