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. 2021 Jan 12;11:525. doi: 10.1038/s41598-020-80113-7

Table 3.

Comparison with the KekuleScope.

	Model	RMSE^a	RMSE^b
KekuleScope	CNN	0.76 ± 0.078
	RF	0.68 ± 0.070
	FNN	0.71 ± 0.076
Present study	GCN	0.74 ± 0.091	0.49 ± 0.11

^aThe KekuleScope dataset.

^bChEMBL (release 25).