ML models to predict yields of two constitutional isomers of geminal chlorofluorination. Input file: train_set.csv for a train set, and test_set.csv for a test set. Features in the input file: 13C NMR shifts of two carbonyl carbons of 1,2-dicarbonyl compounds, the Sterimol values of substituents (using Paton’s Sterimol Python script), eps values of solvents, temperature (°C)
su-min-s/ML_helv
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