Table 7 The performance of classification models for the training set S
From: SYBA: Bayesian estimation of synthetic accessibility of organic compounds
Model | AUC | Acc | SN | SP | Threshold |
|---|---|---|---|---|---|
Default threshold | |||||
SAScore | 0.981 | 0.767 | 0.998 | 0.536 | 6.0 |
Optimized threshold | |||||
SAScore | 0.981 | 0.933 | 0.935 | 0.932 | 4.4 |
SCScore | 0.667 | 0.623 | 0.564 | 0.682 | 3.7 |