CYP Inhibition Prediction on TDC CYP Inhibition
77.4Accuracy (CYP1A2)ES-Merging
Evaluation Results
| Method | Links | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ES-Merging2026.03 | 77.4 | 77.4 | 70.6 | 70.5 | 72.5 | 70.4 | 80.7 | 69.5 | 71.3 | 70.8 | 74.5 | 71.7 | |
| TIES-Merging2026.03 | 71.8 | 71.8 | 67.8 | 67.9 | 66.5 | 65 | 76.1 | 64 | 65.3 | 66.3 | 69.5 | 67 | |
| EMR-Merging2026.03 | 70.4 | 70.5 | 64.8 | 65.4 | 66.8 | 66.3 | 74.2 | 61.8 | 66.1 | 66 | 68.5 | 66 | |
| PCB-Merging2026.03 | 69.2 | 69.4 | 63.6 | 64.6 | 65 | 63.8 | 72.4 | 61 | 63.8 | 65.2 | 66.8 | 64.8 | |
| Mol-LLaMA2026.03 | 68.5 | 67.1 | 65.7 | 64.3 | 63.3 | 63.3 | 64.7 | 59.2 | 64.3 | 64 | 65.3 | 63.6 | |
| Consensus Merging2026.03 | 68.5 | 68.8 | 63.6 | 64.1 | 65.7 | 64 | 73.5 | 60.8 | 63.8 | 64.7 | 67 | 64.5 | |
| Avg. MergingFine-tuning=true2026.03 | 68.3 | 67.7 | 67 | 66.5 | 62.2 | 62.1 | 67.6 | 60.9 | 67.6 | 67.6 | 66.5 | 65 | |
| Avg. Merging2026.03 | 61.2 | 60.5 | 54.1 | 53.5 | 52.7 | 53.8 | 53.8 | 49.6 | 54.6 | 55.1 | 55.2 | 54.5 | |
| Prot2Text-V22026.03 | 59.4 | 55.8 | 56.8 | 52.5 | 67.4 | 60.1 | 76.3 | 55.9 | 59.6 | 50.3 | 63.9 | 54.9 | |
| LS-Merge2026.03 | 59.1 | 58 | 56.4 | 56 | 56.2 | 54.5 | 61 | 51.3 | 55.5 | 53.5 | 57.6 | 54.7 | |
| LLaMA-3.1-8B-Instruct2026.03 | 55.3 | 58 | 50.6 | 55.4 | 47.4 | 53.7 | 56.4 | 51.7 | 43.1 | 52.8 | 50.6 | 54.3 | |
| Cell-o12026.03 | 53.5 | 58.3 | 44.9 | 51.9 | 43.1 | 52.8 | 46.9 | 46.3 | 43.6 | 51.6 | 46.4 | 52.2 | |
| AdaMerging2026.03 | 52.5 | 55.3 | 53.1 | 54.2 | 44.8 | 46 | 45.6 | 45.7 | 50.4 | 54.3 | 49.3 | 51.1 |