Application of Molecular Modeling to Urokinase Inhibitors Development

Table 4

Comparison of correlation coefficients and numbers of false positives and false negative results (a total of 88 complexes) for the SOL program and the DISCORE program trained by 50 uPA-ligand complexes.

	Correlation coefficient	Number of false positives	Number of false negative
SOL docking	0.35	26 of 88	7 of 88
DISCORE postprocessing (training set)	0.58	8 of 50	3 of 50
DISCORE postprocessing (test set)	0.52	9 of 38	4 of 38
DISCORE postprocessing (all complexes)	0.55	17 of 88	7 of 88