The paper claims up to 93% accuracy in predicting catalytic reaction products on gold surfaces from 145 reactions, but the accuracy is computed on the training set after tuning parameters on that same set.
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physics.chem-ph 1years
2019 1verdicts
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Predicting outcomes of catalytic reactions using machine learning
The paper claims up to 93% accuracy in predicting catalytic reaction products on gold surfaces from 145 reactions, but the accuracy is computed on the training set after tuning parameters on that same set.