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Table 8 Comparison with the structure-based approach by Tang et al. [14] on the PW dataset.

From: Automatic prediction of catalytic residues by modeling residue structural neighborhood

 

Performance %

Method

P

R

FPR

F 1

MCC

AUCROC

AUCRP

Tang et al. (GANN) 1

192

73

3.8

312

36

0.9313

0.3556

SVM_P 24_1D1-3, 3D1-6

28

46

1.4

34

34

0.9635

0.3723

  1. 1subsampling of negative examples with a ratio of 1:6 w.r.t. positives
  2. 2directly computed
  3. Results include both performance measures at fixed decision threshold and average areas under ROC and RP curves. Results are obtained without including ligand information.