Table 12. Class-Wise Performance of Reconstructed Non-CP SVM MACCS Model on the Di et al. Test Set.

class	SE	SP	PPV	NPV	number of compounds
nonsensitizer	0.79	0.71	0.65	0.83	33
weak to moderate sensitizer	0.72	0.79	0.76	0.76	39
strong to extreme sensitizer	0.30	0.97	0.60	0.91	10