Table 1. Model Performance for SMILES-Based and Image-Based for Glu/Gal Classification Model Threshold for Ratio ≥5.

ratio ≥5	efficiency	PPV	NPV	no. of positives/no. of all compounds	ROC AUC	PR AUC
SMILES-based v1	43.4%	30.8%	99.6%	486/11280	0.86	0.36
image-based	48.6%	28.4%	98.6%	394/7725	0.84	0.45