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Algorithm for the Pruning of Synthesis Graphs
[Image: see text] Synthesis route planning is in the core of chemical intelligence that will power the autonomous chemistry platforms. In this task, we rely on algorithms to generate possible synthesis routes with the help of retro- and forward-synthetic approaches. Generated synthesis routes can be...
Autores principales: | Zahoránszky-Kőhalmi, Gergely, Lysov, Nikita, Vorontcov, Ilia, Wang, Jeffrey, Soundararajan, Jeyaraman, Metaxotos, Dimitrios, Mathew, Biju, Sarosh, Rafat, Michael, Samuel G., Godfrey, Alexander G. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9093600/ https://www.ncbi.nlm.nih.gov/pubmed/35438992 http://dx.doi.org/10.1021/acs.jcim.1c01202 |
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