Table 7.

kNN and GP models performance retrieved from Yosipof et al. [41]

Library	Activity	$Q_{t r a i n}^{2}$		$Q_{e x t}^{2} (R^{2})$	$Q_{e x t}^{2}$ $(R^{2})$ (AD)	$Q_{e x t}^{2} (R^{2})$
Library	Activity	kNN	GP	kNN	kNN	GP
$T i O_{2} \| C u_{2} O$ (Ag)	J _SC	0.92	0.74	0.92 (0.92)	0.92 (0.92)	0.76 (0.76)
	V _OC	0.78	0.65	0.89 (0.89)	0.89 (0.89)	0.78 (0.77)
	IQE	0.91	0.70	0.87 (0.87)	0.87 (0.87)	0.72 (0.73)
$T i O_{2} \| C u_{2} O$ (Ag\|Cu)	J _SC	0.92	0.76	0.89 (0.89)	0.88 (0.89)	0.74 (0.76)
	V _OC	0.74	0.61	0.56 (0.55)	0.55 (0.54)	0.50 (0.50)
	IQE	0.9	0.72	0.91 (0.91)	0.89 (0.89)	0.72 (0.73)