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) \((R^{2} )\) |
|---|---|---|---|---|---|
\(TiO_{2} |Cu_{2} O\) (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) | |
\(TiO_{2} |Cu_{2} O\) (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) | |
\(TiO_{2} \left| {Co_{3} O_{4} } \right|MoO_{3}\) | 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) |