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.
Tropsha, Molecular Informatics, 2010, 29, 476–488
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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.