Table 2 Prediction performance for selected MUV dataset (AUROC)
From: End-to-end learning for compound activity prediction based on binding pocket information
MUV ID | Pocket structure (Proposed) | Sequence (Tsubaki et al.) | Docking (AutoDock Vina) |
|---|---|---|---|
600 | 0.574 | 0.539 | 0.555 |
692 | 0.542 | 0.531 | 0.470 |
859 | 0.508 | 0.498 | 0.509 |
852 | 0.647 | 0.643 | 0.482 |
548 | 0.721 | 0.707 | 0.482 |
832 | 0.612 | 0.599 | 0.535 |
689 | 0.467 | 0.481 | 0.547 |
846 | 0.631 | 0.630 | 0.461 |
466 | 0.409 | 0.404 | 0.613 |
Average | 0.568 | 0.559 | 0.517 |