Table 2.
True/false positive/negatives in predicting the best-scoring RMSD from the correct binding mode based on the SCI score with different scoring functions.
| SCI | RMSD | AffiScore | DrugScore | X-Score | |
|---|---|---|---|---|---|
| True Positive | > 0.8 | ≤ 2.0 Å | 30% | 48% | 48% |
| False Positive | > 0.8 | > 2.0 Å | 4% | 4% | 18% |
| True Negative | ≤ 0.8 | > 2.0 Å | 28% | 26% | 14% |
| False Negative | ≤ 0.8 | ≤ 2.0 Å | 38% | 22% | 20% |