Table 1 Results of the classification of molecules into prohibited, i.e., hazardous category (class 0) and allowed, i.e., non-hazardous (class 1) for the ECHA cosmetics test set (higher is better)
Class | Precision | Recall | F1 score | Support |
|---|---|---|---|---|
Class 0 | 0.73 | 0.65 | 0.69 | 68 |
Class 1 | 0.80 | 0.86 | 0.83 | 115 |
Accuracy | Â | Â | 0.78 | 183 |
Macro Acc. | 0.77 | 0.75 | 0.76 | 183 |
Weighted Acc. | 0.78 | 0.78 | 0.78 | 183 |