| LB48 test set | LB210 test set |
---|
Method
|
Top 1
|
Top 3
|
Top 1
|
Top 3
|
PASS | 60* | 71* | 54* | 79* |
LIGSITE | 58* | 75* | 65* | 85* |
SURFNET | 52* | 75* | 42* | 56* |
FOD | 56 (71) | 60 (81) | 55 (68) | 72 (83) |
Unexpectedness | 48 (69) | 63 (83) | 53 (65) | 67 (80) |
- The comparison of ligand binding site prediction success rates of the current approach (Unexpectedness), a global hydrophobicity-based method (FOD) and several non-hybrid pocket-searching state of the art methods for 48 unbound molecules from the LB48 test set. The cut-off distances are 4 Ã… and 6 Ã… (success rates for the latter value are in parentheses). Results marked with stars were reported in [32].