Table 10. Class-Wise Performance of Combined Workflow for Ternary Prediction of Skin Sensitization Potential on the Test Set.

ε	class	validity	efficiency	SE	SP	PPV	NPV
0.10	nonsensitizer	0.93	0.49	0.92	0.89	0.95	0.83
	weak to moderate sensitizer	0.88	0.32	0.81	0.94	0.81	0.94
	strong to extreme sensitizer	1.00	0.32	1.00	0.98	0.75	1.00
0.20	nonsensitizer	0.81	0.77	0.83	0.83	0.90	0.73
	weak to moderate sensitizer	0.74	0.64	0.74	0.89	0.72	0.90
	strong to extreme sensitizer	0.89	0.53	0.80	0.94	0.50	0.98
0.30	nonsensitizer	0.70	0.90	0.78	0.86	0.89	0.72
	weak to moderate sensitizer	0.58	0.88	0.66	0.84	0.64	0.84
	strong to extreme sensitizer	0.63	0.95	0.67	0.89	0.39	0.96