Fig. 3: Optimized models provide accurate predictions of enzyme-substrate pairs.
From: A general model to predict small molecule substrates of enzymes based on machine and deep learning
a Accuracies. Boxplots summarize the results of the CV with n = 5 folds on the training set with the best sets of hyperparameters. We used a 2 × interquartile range for the whiskers, the boxes extend from the lower to upper quartile values, and the red horizontal lines are displaying the median of the data points. Blue dots display the accuracies on the test set, using the optimized models trained on the whole training set. b ROC curves for the test set. The dotted line displays the ROC curve expected for a completely random model. Source data are provided as a Source Data file.
