Table 3.
Raw Homology Model | |||||
---|---|---|---|---|---|
Training Set | AUC | NSQ_AUC | Ligand RMSD (Å) | Contacts Coverage | ICM Docking Score |
Tr1:1 | 0.63 | 0.29 | 7.5 / 7.4 | 21% | −17.9 (kcal/mol) |
Tr1:15 | 0.66 | 0.26 | ~ | ~ | ~ |
ALiBERO | |||||
Training Set | AUC | NSQ_AUC | Ligand RMSD (Å) | Contacts Coverage | ICM Docking Score |
Tr1:1 | 0.96 | 0.92 | 6.2 / 4.3 | 47% | −28.7 (kcal/mol) |
Tr1:15 | 0.92 | 0.78 | 4.6 / 2.8 | 51% | −28.8 (kcal/mol) |