Fig. 6From: Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexityBalanced vs. imbalanced training sets for MPNNs. Boxplots report the prediction accuracy of MPNN_sep models derived from imbalanced or balanced training sets of 10 activity classes with largest numbers of ACs on the basis of A BA, B MCC, C recall, and D precision in the presence or absence of data leakageBack to article page