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