Table 1 Performance of the WES method.
From: Large-scale Direct Targeting for Drug Repositioning and Discovery
Data set | Data type | ACC | SPE | SEN | PRE | AUC |
|---|---|---|---|---|---|---|
Feature classes | Dragon + CDK | 0.78 | 0.71 | 0.85 | 0.74 | 0.85 |
Dragon | 0.75 | 0.63 | 0.85 | 0.70 | 0.83 | |
CDK | 0.74 | 0.66 | 0.82 | 0.71 | 0.80 | |
Target classes | Ion channel | 0.75 | 0.69 | 0.80 | 0.72 | 0.84 |
Membrane receptors | 0.79 | 0.73 | 0.85 | 0.76 | 0.86 | |
Transcription factor | 0.80 | 0.74 | 0.85 | 0.77 | 0.86 | |
Transporter | 0.79 | 0.69 | 0.89 | 0.74 | 0.87 | |
Enzyme | 0.78 | 0.71 | 0.86 | 0.75 | 0.86 | |
External validation | PDB (IC50 < 10) and BindingDB (IC50 > 500 μM) | 0.70 | 0.70 | 0.71 | 0.32 | 0.75 |
