“…The epoxide can be nucleophilically attacked by the amine. 73 For this reaction to happen, the epoxide needs to be fixed in orientation for the correct alcohol to be released. Thus, the greatest challenge lies in maintaining exact stereocontrol.…”
Machine learning models for chemical retrosynthesis have attracted substantial interest in recent years. Unaddressed challenges, particularly the absence of robust evaluation metrics for performance comparison, and the lack of black-box...
“…The epoxide can be nucleophilically attacked by the amine. 73 For this reaction to happen, the epoxide needs to be fixed in orientation for the correct alcohol to be released. Thus, the greatest challenge lies in maintaining exact stereocontrol.…”
Machine learning models for chemical retrosynthesis have attracted substantial interest in recent years. Unaddressed challenges, particularly the absence of robust evaluation metrics for performance comparison, and the lack of black-box...
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