Table 3. Each individual score's separation parameter and performance as a one-score classifier.
| Score | Type | Separationa | Optimal thresholdb | Accuracy (%) | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
|
| ||||||||||
| Remaining | Comparable | Close | SF | FD | CL | RT | ||||
| Dali | Intra | 0.42 | 0.75 | 67.69 | 70.00 | 73.87 | 24.60 | 93.18 | 90.04 | 92.15 |
| Daliz | Intra | 0.36 | 0.52 | 70.77 | 63.08 | 71.17 | 20.87 | 95.57 | 97.35 | 98.55 |
| GDT_S | Inter | 0.28 | 0.66 | 66.92 | 63.08 | 67.57 | 12.95 | 96.35 | 98.99 | 99.36 |
| TM score | Inter | 0.42 | 0.56 | 74.62 | 63.08 | 83.78 | 69.96 | 54.92 | 96.67 | 99.59 |
| RMSD | Inter | 0.38 | 0.77 | 70.00 | 60.00 | 86.49 | 59.02 | 77.08 | 96.31 | 98.32 |
| AHM | Inter | 0.39 | 0.64 | 73.85 | 63.85 | 77.48 | 74.44 | 46.05 | 80.45 | 85.74 |
| LBa | Intra | 0.29 | 0.36 | 61.54 | 56.92 | 96.40 | 84.03 | 37.95 | 47.02 | 60.04 |
| LBb | Intra | 0.24 | 0.48 | 58.46 | 60.00 | 92.79 | 87.04 | 29.22 | 48.05 | 64.52 |
| LHM | Inter | 0.11 | 0.52 | 63.08 | 52.31 | 74.77 | 21.07 | 94.03 | 99.91 | 99.98 |
| Id | Pair | 0.41 | 0.06 | 80.00 | 51.54 | 88.29 | 46.40 | 81.42 | 86.13 | 87.44 |
| Blosum | Pair | 0.53 | 0.07 | 79.23 | 56.92 | 95.50 | 76.21 | 52.76 | 72.37 | 77.09 |
| Compass-like | Profile | 0.86 | 0.18 | 86.15 | 76.92 | 93.69 | 45.06 | 82.40 | 95.72 | 97.87 |
| Correl | Profile | 0.70 | 0.19 | 83.08 | 70.77 | 91.89 | 57.69 | 75.96 | 92.26 | 95.33 |
| HHsearch | Profile | 0.75 | 0.02 | 86.15 | 66.15 | 90.09 | 70.17 | 58.21 | 87.10 | 95.08 |
| SVM scorec | 0.93 | 0.40 | 94.62 | 76.15 | 90.99 | 75.04 | 56.59 | 80.63 | 84.01 | |
Separation of a score is calculated by the following equation: separation=(μh − μa)/(σh + σa), where μh, σh, μa, and σa are the mean and standard deviation for homologs and analogs in the “remote” data set, respectively.
The optimal threshold for a single-score classifier is found by scanning a wide range of thresholds and identifying the one at which the accuracy on “remaining” is the highest.
This is the SVM prediction score given by the final classifier.