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rxnpredict-using-sklearn-python

The prediction of reaction yield using several Ml technqiues like MLP, SVM etc implemented using python, scikitlearn, matplotlib, numpy etc

These datset belongs to the paper below: Deoxyfluorination with Sulfonyl Fluorides: Navigating Reaction Space with Machine Learning Matthew K. Nielsen, Derek T. Ahneman, Orestes Riera, and Abigail G. Doyle Journal of the American Chemical Society 2018 140 (15), 5004-5008 DOI: 10.1021/jacs.8b01523

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