Table 5 The subsets of unlabeled toxicity compounds for 12 toxicological endpoints with varying levels of similarity to the corresponding labeled dataset
Endpoint | Compounds(close) | Compounds(normal) | Compounds(far) | Total |
|---|---|---|---|---|
NR-AhR | 12116 | 20416 | 17995 | 50527 |
NR-AR-LBD | 11765 | 20379 | 18383 | 50527 |
NR-AR | 12471 | 19857 | 18199 | 50527 |
NR-Aromatase | 11658 | 20764 | 18105 | 50527 |
NR-ER-LBD | 11930 | 20140 | 18457 | 50527 |
NR-ER | 11868 | 20527 | 18132 | 50527 |
NR-PPAR-gamma | 11527 | 20797 | 18203 | 50527 |
SR-ARE | 11659 | 21301 | 17567 | 50527 |
SR-ATAD5 | 12309 | 19875 | 18343 | 50527 |
SR-HSE | 12534 | 20640 | 17353 | 50527 |
SR-MMP | 11552 | 21325 | 17650 | 50527 |
SR-p53 | 12239 | 19991 | 18297 | 50527 |