Evaluation of 11 Scoring Functions Performance on Matrix Metalloproteinases

Table 1

Correlation coefficients (Pearson’s and Spearman’s correlation coefficients) for 11 individual and two consensus scoring functions with pAffinity.

	Pearson’s correlation coefficient with pAffinity	Spearman’s correlation coefficient with pAffinity
Consensus (rank-by-rank)	0.298	0.227
Consensus; (rank-by-number)	−0.303	−0.211
AutoDock4.1	−0.049	0.019
ChemScore	−0.253	−0.216
D-Score	−0.090	−0.048
DSX	−0.368	−0.255
F-Score	−0.390	−0.391
G-Score	−0.178	−0.148
PoseScore	−0.321	−0.227
RankScore	−0.311	−0.285
PMF-Score	−0.148	−0.147
Vina	−0.078	−0.036
X-Score	−0.209	−0.109