Table 1. Comparison of AUROC between models^a.

	Overall AUROC
Difficulty	ExperimentalNet	Vina	KinCoNet-M1	KinCoNet-M2
	0.74 ± 0.02	0.68 ± 0.01	0.81 ± 0.02	0.79 ± 0.02

	AUROC by kinase difficulty
Kinase difficulty	ExperimentalNet	Vina	KinCoNet-M1	KinCoNet-M2
easy	0.79 ± 0.05	0.65 ± 0.03	0.87 ± 0.02	0.87 ± 0.04
medium	0.78 ± 0.06	0.64 ± 0.08	0.81 ± 0.04	0.80 ± 0.03
hard	0.75 ± 0.06	0.71 ± 0.07	0.71 ± 0.04	0.72 ± 0.06

	AUROC by compound difficulty
Compound difficulty	ExperimentalNet	Vina	KinCoNet-M1	KinCoNet-M2
easy	0.77 ± 0.03	0.64 ± 0.02	0.81 ± 0.04	0.82 ± 0.04
medium	0.74 ± 0.04	0.73 ± 0.04	0.78 ± 0.04	0.80 ± 0.02
hard	0.72 ± 0.08	0.65 ± 0.03	0.79 ± 0.02	0.79 ± 0.02

^aMedian of five CV splits ± half of the interquantile range.