Table 1 The Ames and Tox21 datasets
From: Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction
Ames | Tox21 | ||||
|---|---|---|---|---|---|
Assay name | Number labels (proportion) | Proportion actives | Assay name | Number labels (proportion) | Proportion actives |
TA100 | 4627 (0.75) | 0.26 | NR-AhR | 6810 (0.84) | 0.12 |
TA100_S9 | 4350 (0.71) | 0.32 | NR-AR | 7460 (0.92) | 0.03 |
TA102 | 880 (0.14) | 0.17 | NR-AR-LBD | 6991 (0.86) | 0.03 |
TA102_S9 | 763 (0.12) | 0.21 | NR-Aromatase | 6009 (0.74) | 0.05 |
TA1535 | 2489 (0.40) | 0.11 | NR-ER | 6367 (0.79) | 0.11 |
TA1535_S9 | 2347 (0.38) | 0.12 | NR-ER-LBD | 7199 (0.89) | 0.04 |
TA1537 | 2081 (0.34) | 0.12 | NR-PPAR-gamma | 6752 (0.83) | 0.03 |
TA1537_S9 | 1998 (0.32) | 0.12 | SR-ARE | 6121 (0.76) | 0.16 |
TA97 | 1049 (0.17) | 0.14 | SR-ATAD5 | 7326 (0.91) | 0.04 |
TA97_S9 | 1010 (0.16) | 0.17 | SR-HSE | 6794 (0.84) | 0.05 |
TA98 | 4345 (0.70) | 0.24 | SR-MMP | 6074 (0.75) | 0.15 |
TA98_S9 | 4055 (0.66) | 0.29 | SR-p53 | 7049 (0.87) | 0.06 |
overall | 6168 (0.41) | 0.21 | overall | 8090 (0.83) | 0.07 |