Table 1.
Model | Training set | Test set | DUD-E database |
---|---|---|---|
8-MODEL ENSEMBLE (MIN) | 0.851 (±0.0281) | 0.885 (±0.0367) | 0.976*** (±0.0085) |
8-MODEL ENSEMBLE (RANKING) | 0.886 (±0.0239) | 0.878 (±0.0375) | 0.976*** (±0.0082) |
8-MODEL ENSEMBLE (AVERAGE) | 0.891 (±0.0234) | 0.887 (±0.0357) | 0.970*** (±0.0096) |
8-MODEL ENSEMBLE (VOTING) | 0.833 (±0.0283) | 0.810 (±0.0516) | 0.959* (±0.0173) |
348 | 0.882 (±0.0250) | 0.885 (±0.0360) | 0.934 (±0.0123) |
706 | 0.809* (±0.0319) | 0.736** (±0.0565) | 0.924 (±0.0205) |
981 | 0.843 (±0.0298) | 0.837 (±0.0467) | 0.922 (±0.0254) |
557 | 0.778** (±0.0343) | 0.818 (±0.0482) | 0.919 (±0.0203) |
123 | 0.850 (±0.0285) | 0.882 (±0.0382) | 0.918 (±0.0185) |
693 | 0.860 (±0.0280) | 0.828* (±0.0459) | 0.913* (±0.0171) |
560 | 0.775** (±0.0348) | 0.779* (±0.0525) | 0.911* (±0.0185) |
746 | 0.844 (±0.0288) | 0.820 (±0.0456) | 0.910 (±0.0195) |
AUROCs statistically different from the correspondent column for the best individual model (model 348).
p < 0.05,
p < 0.01, and
p < 0.001.
The highest AUC for an individual model is indicated in bold.