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Table 2 Benchmarks of several ligand binding site prediction methods

From: Prediction of functionally important residues in globular proteins from unusual central distances of amino acids

  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)
  1. 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 Å and 6 Å (success rates for the latter value are in parentheses). Results marked with stars were reported in [32].