Suong Tran's series of Jupyter notebooks for complexity project in Masha lab.
Current goal: Extracting features, Calculating published metrics and analyzing their correlation with the yield
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What have been done so far:
- Generate working data set of single reduction of ketone to alcohol
- Extracting basic features
- Calculating published metrics
- Analyzing their correlation with the yield
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Next step:
- Getting electrophilic feature of Carbonyl-C