Table 3. Comparison Table for Macro Average Metrics of the SMILES-Based Model vs Descriptor-Based Model, with Weighted Average Shown in Bracketsa.
Metric |
|||
---|---|---|---|
Classifier | Precision | Recall | FI Score |
SMILES based | 0.74 (0.96) | 0.74 (0.96) | 0.74 (0.96) |
Descriptor based | 0.99 (0.98) | 0.75 (0.98) | 0.83 (0.97) |
Macro averages are shown with weighted averages in brackets.