Table 4. Selection of Site Classification Methods Applied to the BORON1000 Data.
| site accuracy/% | PPV/% | MCC/% | |
|---|---|---|---|
| T5Chem Classifier | 95 | 87 | 87 |
| DRFP + RF Classifier | 93 | 94 | 80 |
| RXNFP + RF Classifier | 81 | 91 | 44 |
| RXNFP + MLP | 85 | 68 | 61 |
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