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Critical assessment of synthetic accessibility scores in computer-assisted synthesis planning
Modern computer-assisted synthesis planning tools provide strong support for this problem. However, they are still limited by computational complexity. This limitation may be overcome by scoring the synthetic accessibility as a pre-retrosynthesis heuristic. A wide range of machine learning scoring a...
Autores principales: | Skoraczyński, Grzegorz, Kitlas, Mateusz, Miasojedow, Błażej, Gambin, Anna |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9840255/ https://www.ncbi.nlm.nih.gov/pubmed/36641473 http://dx.doi.org/10.1186/s13321-023-00678-z |
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