Fig. 4. Receiver operating characteristic (ROC) curves and precision recall curves (PRC) for predictions of logistic regression and graph convolutional models under different class imbalance condition (details listed in Table 2). (A, B) task “FDA_APPROVED” from ClinTox, test subset; (C, D) task “Hepatobiliary disorders” from SIDER, test subset; (E, F) task “NR-ER” from Tox21, validation subset; (G, H): task “HIV_active” from HIV, test subset. Black dashed lines are performances of random classifiers.
