Table 5.
Comparison with state-of-the-art methods in terms of the ROC-AUC scores of each task on Tox21. The best performance is denoted by bold
| Tasks | Smi2Vec*-LSTM | Smi2Vec-BiGRU | TranGRU |
|---|---|---|---|
| NR-AR | 0.6914 | 0.7114 | 0.8241 |
| NR-AR-LBD | 0.7477 | 0.8243 | 0.847 |
| NR-AhR | 0.678 | 0.8793 | 0.8327 |
| NR-Aromatase | 0.4964 | 0.6985 | 0.7838 |
| NR-ER | 0.6231 | 0.736 | 0.6907 |
| NR-ER-LBD | 0.5308 | 0.8675 | 0.8433 |
| NR-PPAR-gamma | 0.5659 | 0.7494 | 0.8375 |
| SR-ARE | 0.6414 | 0.761 | 0.7014 |
| SR-ATAD5 | 0.5 | 0.7632 | 0.7267 |
| SR-HSE | 0.612 | 0.7845 | 0.7362 |
| SR-MMP | 0.7425 | 0.8599 | 0.8156 |
| SR-p53 | 0.518 | 0.7321 | 0.81 |
The performance of Smi2Vec*-LSTM and Smi2Vec-BiGRU below are from the original papers