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. 2023 Mar 20;19(14):4701–4710. doi: 10.1021/acs.jctc.2c01303

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)
a

Macro averages are shown with weighted averages in brackets.