Table 1.
Task | Algorithm | Encoder | Training Performance |
Validation Performance |
Testing Performance |
---|---|---|---|---|---|
Antiangiogenic | HistGradientBoosting | ProTrans t5 BDF | (0.75, 0.78) | (0.74, 0.76) | 0.82 |
Antidiabetic | RandomForest | ProTrans t5 Uniref | (0.81, 0.83) | (0.81, 0.82) | 0.81 |
Anti-Gram (−) | XGBClassifier | Esm1B | (0.89, 0.89) | (0.88, 0.89) | 0.88 |
Anti-Gram (+) | ExtraTrees | Esm1B | (0.88, 0.88) | (0.88, 0.88) | 0.88 |
Anti-inflammatory | Random Forest | ProTrans t5 xlu50 | (0.87, 0.88) | (0.87, 0.87) | 0.89 |
Antimalarial | ExtraTrees | ProTrans t5 BERT | (0.82, 0.85) | (0.83, 0.84) | 0.78 |
Antimammalian cell | ExtraTrees | ProTrans t5 Uniref | (0.90, 0.90) | (0.90, 0.90) | 0.90 |
Anti-methicillin-resistant S. aureus | ExtraTrees | Esm1B | (0.87, 0.88) | (0.87, 0.87) | 0.90 |
Antioxidative | RandomForest | ProTrans t5 xlu50 | (0.75, 0.77) | (0.75, 0.76) | 0.82 |
Antibacterial | RandomForest | ProTrans t5 xlu50 | (0.89, 0.90) | (0.89, 0.89) | 0.92 |
Antifungal | RandomForest | ProTrans t5 xlu50 | (0.83, 0.83) | (0.82, 0.82) | 0.84 |
Antimicrobial | RandomForest | ProTrans t5 Uniref | (0.88, 0.88) | (0.87, 0.88) | 0.88 |
Antiparasitic | RandomForest | Esm1b | (0.83, 0.84) | (0.83, 0.83) | 0.85 |
Antiviral | RandomForest | ProTrans t5 Uniref | (0.81, 0.81) | (0.80, 0.81) | 0.79 |
Anuran defense | Hist Gradient Boosting | ProTrans t5 xlu50 | (0.90, 0.91) | (0.90, 0.90) | 0.93 |
Blood–brain barrier penetrating |
ExtraTrees | ProTrans t5 Uniref | (0.77, 0.80) | (0.78, 0.79) | 0.85 |
Cell–cell communication |
Hist Gradient Boosting | ProTrans t5 xlu50 | (0.90, 0.91) | (0.90, 0.90) | 0.91 |
Cell-penetrating | ExtraTrees | ProTrans t5 ALBERT | (0.87, 0.88) | (0.87, 0.87) | 0.86 |
Neuropeptide | ExtraTrees | ProTrans t5 xlu50 | (0.86, 0.86) | (0.86, 0.86) | 0.87 |
Quorum sensing |
ExtraTrees | ProTrans t5 ALBERT | (0.83, 0.86) | (0.87, 0.88) | 0.87 |
Drug delivery vehicle |
ExtraTrees | Esm1B | (0.85, 0.85) | (0.84, 0.85) | 0.92 |