Table 2.

Comparison of 10 independent experiments between randomly splitting training / test sets and splitting under the guidance of structure similarities on AUC-ROC, sensitivity, specificity, and accuracy, together with the average scores and standard deviation (STD).

	Random Splitting				Splitting On Clusters
	AUC-ROC	Sensitivity	Specificity	Accuracy	AUC-ROC	Sensitivity	Specificity	Accuracy
	0.907	0.847	0.831	0.833	0.895	0.755	0.879	0.867
	0.888	0.765	0.889	0.875	0.909	0.832	0.868	0.863
	0.873	0.831	0.813	0.815	0.877	0.743	0.917	0.894
	0.836	0.686	0.900	0.875	0.885	0.759	0.872	0.860
	0.916	0.821	0.890	0.882	0.881	0.775	0.879	0.868
	0.853	0.764	0.864	0.852	0.873	0.742	0.896	0.877
	0.884	0.790	0.857	0.849	0.890	0.813	0.825	0.823
	0.875	0.745	0.890	0.871	0.891	0.795	0.851	0.845
	0.899	0.800	0.874	0.865	0.881	0.771	0.883	0.870
	0.878	0.804	0.843	0.839	0.897	0.823	0.856	0.852
Average	0.881	0.785	0.865	0.856	0.888	0.781	0.872	0.862
STD	0.024	0.047	0.029	0.022	0.010	0.031	0.024	0.018