Table 6.
Five-fold CV performance of the CP models for DPRA, KeratinoSens assay, and h-CLAT at the significance level of 0.20 1.
| Assay to be Predicted | No. Compounds in Data Set | Validity | Efficiency | ACC | ACC (Sensitizers) | ACC (Non-Sensitizers) | F1 Score | MCC |
|---|---|---|---|---|---|---|---|---|
| DPRA | 194 | 0.74 (0.09) | 0.71 (0.14) | 0.64 (0.07) | 0.60 (0.06) | 0.69 (0.20) | 0.64 (0.07) | 0.30 (0.18) |
| KeratinoSens | 190 | 0.82 (0.11) | 0.51 (0.08) | 0.67 (0.19) | 0.66 (0.24) | 0.68 (0.23) | 0.64 (0.19) | 0.31 (0.35) |
| h-CLAT | 160 | 0.87 (0.03) | 0.56 (0.56) | 0.78 (0.05) | 0.76 (0.15) | 0.75 (0.29) | 0.74 (0.06) | 0.54 (0.08) |
1 Standard deviation in parentheses.