Table 1.

Performance of the best models on the external test set

Dataset	Highest balanced accuracy		Highest AUC
	Balanced accuracy	AUC	Balanced accuracy	AUC
1-1	0.664	0.811	0.610	0.814
1-16	0.760	0.805	0.678	0.818
2-2	0.680	0.801	0.561	0.821
2-32	0.753	0.815	0.753	0.815
5-5	0.630	0.814	0.551	0.823
5-80	0.784	0.803	0.693	0.823
SMOTE	0.740	0.813	0.740	0.813
Tox21 highest	0.765	0.847	0.581	0.880

The performance for the best single models trained with COVER and SMOTE as well as the best models for AUC and balanced accuracy from the Tox21 challenge.The best models are highlighted with italics numbers