Table 5.

RANSC model performance for the three datasets

library	Activity	$Q_{train}^2(R^2)$	$Q_{train}^2$ $(R^2)$ (no outliers)	$Q_{ext}^2(R^2)$	$Q_{ext}^2$ (AD) $(R^2)$
$Ti{O}_2|C{u}_{2}O$ (Ag)	J SC	0.75 (0.77)	0.82 (0.84)	0.69 (0.75)	0.87 (0.89)
	V OC	0.62 (0.63)	0.65 (0.66)	0.80 (0.80)	0.80 (0.80)
	IQE	0.71 (0.72)	0.79 (0.82)	0.69 (0.76)	0.83 (0.87)
$Ti{O}_2|C{u}_{2}O$ (Ag|Cu)	J SC	0.74 (0.78)	0.78 (0.82)	0.76 (0.81)	0.84 (0.88)
	V OC	0.57 (0.62)	0.73 (0.78)	0.62 (0.68)	0.73 (0.78)
	IQE	0.72 (0.74)	0.78 (0.81)	0.78 (0.82)	0.82 (0.86)
$Ti{O}_2\left|C{o}_3{O}_4\right|Mo{O}_3$	J SC	0.77 (0.78)	0.78 (0.79)	0.82 (0.83)	0.82 (0.83)
	V OC	−0.06 (0.03)	0.25 (0.36)	0.00 (0.10)	0.33 (0.31)
	IQE	0.85 (0.86)	0.85 (0.86)	0.79 (0.81)	0.79 (0.81)