Evaluating and clustering retrosynthesis pathways with learned strategy

Yiming Mo, yanfei guan, Pritha Verma, Jiang Guo, Mike E. Fortunato, Zhaohong Lu, Connor W Coley, Klavs F Jensen
2021 Chemical Science  
With recent advances in the computer-aided synthesis planning (CASP) powered by data science and machine learning, modern CASP programs can rapidly identify thousands of potential pathways for a given target...
doi:10.1039/d0sc05078d pmid:34163910 pmcid:PMC8179211 fatcat:lyv73kgr3jcnvhbhdhnjgy72oq