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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...

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Detalles Bibliográficos
Autores principales: Skoraczyński, Grzegorz, Kitlas, Mateusz, Miasojedow, Błażej, Gambin, Anna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
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