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AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planning
We present the open-source AiZynthFinder software that can be readily used in retrosynthetic planning. The algorithm is based on a Monte Carlo tree search that recursively breaks down a molecule to purchasable precursors. The tree search is guided by an artificial neural network policy that suggests...
| 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/PMC7672904/ https://www.ncbi.nlm.nih.gov/pubmed/33292482 http://dx.doi.org/10.1186/s13321-020-00472-1 |