Response to Comment on "Predicting reaction performance in C-N cross-coupling using machine learning"

Thursday, November 15, 2018 - 15:20 in Mathematics & Economics

We demonstrate that the chemical-feature model described in our original paper is distinguishable from the nongeneralizable models introduced by Chuang and Keiser. Furthermore, the chemical-feature model significantly outperforms these models in out-of-sample predictions, justifying the use of chemical featurization from which machine learning models can extract meaningful patterns in the dataset, as originally described.

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