Table 3.

Correlations of affinity metrics and decision function scores.

	Distances		Dist-atr		Atchley		Atchley-dist		Atchley-dist-atr
	Spearman R	p-value	Spearman R	p-value	Spearman R	p-value	Spearman R	p-value	Spearman R	p-value
KD (μM)	−0.062	0.278	−0.075	0.195	0.006	0.911	−0.069	0.231	−0.060	0.297
kon (Ms−1)	0.143	0.126	0.136	0.147	0.074	0.428	0.162	0.083	0.151	0.107
koff (s−1)	0.080	0.397	−0.102	0.276	0.311	0.001	0.087	0.358	0.019	0.839
ΔG (kcal/mol)	−0.067	0.243	−0.083	0.151	−0.008	0.886	−0.074	0.198	−0.072	0.215

Spearman correlation is calculated for each affinity metric for predictions made for each of the models trained.