Table 4 Median MCC scores of imputation models
From: Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction
Ames | Tox21 | ||
|---|---|---|---|
Single task | RF | 0.520 (0.517–0.523) | 0.406 (0.404–0.412) |
XGB | 0.540 (0.537–0.543) | 0.415 (0.412–0.421) | |
ST-DNN | 0.500 (0.495–0.507) | 0.415 (0.406–0.419) | |
Multi-task | XGB-FN | 0.677 (0.675–0.682) | 0.521 (0.516–0.525) |
MT-DNN | 0.676 (0.667–0.688) | 0.503 (0.493–0.512) | |
Macau | 0.679 (0.677–0.681) | 0.385 (0.379–0.388) |