Table 4.
Numbers of test-set molecule-pairs predicted correctly using t LR and t ROC
| Fingerprint | t LR | t ROC |
|---|---|---|
| BCI |
97 |
97 |
| Daylight |
97 |
98 |
| ECFP4 |
96 |
97 |
| ECFC4 |
71 |
71 |
| MDL |
92 |
92 |
| Unity |
97 |
97 |
| Consensus | 98 | 98 |
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