Table 1 AUPR score for the two transfer learning modifications of the chemogenomic neural network CN, based on a single train/validation/test split of the DBEColi dataset
| Â | Raw (\(S_1\)) | Orphan proteins (\(S_2\)) | Orphan molecules (\(S_3\)) | Double orphan (\(S_4\)) |
|---|---|---|---|---|
Chemogenomic neural network (CN) | \(39.57 \pm 4.17\) | \(26.74 \pm 2.49\) | \(43.74 \pm 2.35\) | \(\mathit{24.63} \pm \mathit{1.89}\) |
Curriculum learning | \(45.06 \pm 2.64\) | \(21.43 \pm 3.62\) | \(\mathit{51.45} \pm \mathit{3.03}\) | \(20.97 \pm 2.70\) |
\(CN-feaMLP\) | \(\mathit{50.616} \pm \mathit{2.71}\) | \(\mathit{30.89} \pm \mathit{4.93}\) | \(42.04 \pm 2.95\) | \(\mathit{25.77} \pm \mathit{3.60}\) |