Table 4.
Results of the proposed WPLMF framework and baselines in SIDER4 (The best performance is highlighted in bold)
| Method | AUPR | F1 | MMR | Precision@15 | Recall@15 | Precision | Recall |
|---|---|---|---|---|---|---|---|
| MCS-MKL | 0.5747 (3.6e−3) | 0.5624 (2.1e−3) | 9.8289 (5.8e−2) | 0.6061 (1.1e−2) | 0.7741 (2.0e−2) | :0.5693 (1.2e−2) | 0.5590 (1.7e−2) |
| FGRMF | 0.5434 (4.4e−3) | 0.5347 (3.4e−3) | 9.7910 (1.5e−2) | 0.7304 (1.0e−2) | 0.5416 (6.7e−3) | 0.5347 (9.2e−3) | 0.5351 (1.1e−2) |
| idse-HE* | 0.5303 (7.7e−3) | 0.5069 (2.6e−2) | 8.1523 (7.0e−2) | 0.5228 (1.9e−2) | 0.9026 (1.3e−2) | 0.4267 (5.8e−2) | 0.6402 (4.5e−2) |
| Galeano’s | 0.5698 (3.6e−3) | 0.5457 (7.1e−3) | 9.7946 (5.8e−2) | 0.7500 (1.3e−2) | 0.5567 (2.3e−2) | 0.5617 (9.4e−3) | 0.5306 (1.3e−2) |
| Logit MF* | 0.5479 (4.9e−3) | 0.5402 (4.1e−3) | 9.6442 (3.9e−3) | 0.7324 (1.3e−2) | 0.6135 (6.7e−3) | 0.5379 (1.8e−2) | 0.5425 (2.1e−2) |
| WPLMF (ours) | 0.6031 (3.8e−3) | 0.5744 (2.9e−3) | 9.9028 (1.3e−2) | 0.61004 (7.5e−3) | 0.7816 (8.2e−3) | 0.5858 (9.4e−3) | 0.5635 (4.3e−3) |
The asterisk (*) indicates that SMILES data is not included in the SIDER4 dataset; instead, an 881-dimensional Pubchem fingerprint is used