Table 2.
Performance comparison of DeepChem and Chemprop models on the test data.
| Model | Test Data | ROC-AUC |
|---|---|---|
| DeepChem | Antibiotic | 0.71 |
| DeepChem | Toxicity | 0.92 |
| Chemprop | Antibiotic | 0.68 |
| Chemprop | Toxicity | 0.93 |
ROC-AUC values for DeepChem and Chemprop trained and tested on the same dataset.