Table 3.
The NSQAUC and corresponding receiver operating characteristic values generated by mApfDock and mPockDock measurement.
| Target | mApfDock
|
mPockDock
|
||
|---|---|---|---|---|
| ROC (%) | NSQAUC (%) | ROC (%) | NSQAUC (%) | |
| RXRA | 100.0 | 100.0 | 100.0 | 100.0 |
|
| ||||
| DEF | 88.4 | 72.3 | 98.0 | 90.8 |
|
| ||||
| DYR | 100.0 | 100.0 | 97.1 | 90.5 |
|
| ||||
| THRB | 87.2 | 78.6 | 95.7 | 90.3 |
|
| ||||
| PYRD | 81.2 | 68.0 | 95.5 | 86.4 |
|
| ||||
| MK14 | 94.7 | 85.6 | 94.8 | 81.8 |
|
| ||||
| ADA17 | 99.8 | 99.3 | 93.4 | 79.4 |
|
| ||||
| PPARG | 94.8 | 87.3 | 92.0 | 80.7 |
|
| ||||
| CDK2 | 91.8 | 81.3 | 91.6 | 79.1 |
|
| ||||
| ALDR | 85.8 | 65.0 | 91.4 | 75.9 |
|
| ||||
| MMP8 | 91.3 | 81.2 | 91.3 | 78.3 |
|
| ||||
| THER | 94.8 | 87.3 | 91.1 | 71.6 |
|
| ||||
| ESR1 | 98.4 | 93.9 | 90.9 | 80.6 |
|
| ||||
| CP2A6 | 93.1 | 81.1 | 90.8 | 74.3 |
|
| ||||
| PDE4D | 89.8 | 77.2 | 88.6 | 68.7 |
|
| ||||
| ESR2 | 96.3 | 91.2 | 88.0 | 74.9 |
|
| ||||
| MMP12 | 91.0 | 81.5 | 87.6 | 68.6 |
|
| ||||
| MMP3 | 92.9 | 85.7 | 86.9 | 70.1 |
|
| ||||
| ADK | 99.9 | 99.5 | 86.7 | 60.7 |
|
| ||||
| LCK | 85.8 | 69.9 | 86.5 | 68.3 |
|
| ||||
| MK10 | 76.6 | 53.0 | 85.9 | 68.4 |
|
| ||||
| MMP1 | 93.6 | 85.0 | 85.6 | 66.2 |
|
| ||||
| EGFR | 92.0 | 80.9 | 85.0 | 65.7 |
|
| ||||
| PPARA | 90.7 | 81.1 | 84.3 | 71.2 |
|
| ||||
| PDE4B | 97.3 | 92.5 | 81.3 | 51.2 |
|
| ||||
| VGFR2 | 73.5 | 44.9 | 77.6 | 48.2 |
|
| ||||
| CMA1 | 91.4 | 81.1 | 76.0 | 47.2 |
|
| ||||
| PRGR | 83.4 | 52.2 | 75.2 | 45.4 |
|
| ||||
| GCR | 86.3 | 61.7 | 73.8 | 43.0 |
|
| ||||
| CAH1 | 86.1 | 71.0 | 73.5 | 39.2 |
|
| ||||
| PDE5A | 89.1 | 68.4 | 71.4 | 31.4 |
|
| ||||
| NEP | 98.0 | 94.8 | 69.4 | 40.2 |
|
| ||||
| DPP4 | 99.7 | 98.9 | 69.2 | 31.2 |
|
| ||||
| PYGL | 75.3 | 51.5 | 68.2 | 33.7 |
|
| ||||
| AMPM2 | 92.1 | 80.2 | 67.7 | 31.2 |
|
| ||||
| CAH2 | 81.6 | 60.0 | 64.2 | 23.0 |
|
| ||||
| PGH1 | 82.8 | 58.5 | 55.4 | 19.9 |
|
| ||||
| Mean | 90.4 | 78.4 | 83.8 | 62.9 |
ROC: Receiver operating characteristic.