Table 8. Results of k-nearest neighbor classification for the Kahraman and Homogeneous data sets.

Method	Classification Error
	Kahraman	Homogeneous
TIPSA-TI	0.53	0.52
TIPSA-TI + Gyr	0.41	0.49
TIPSA-TI + RMSD4	0.38	0.46
TIPSA-TI + HydProp	0.38	0.48
TIPSA-TI + Gyr + HydProp	0.36	0.45
TIPSA-TI + Gyr + HydProp + RMSD4	0.36	0.42
Gyr	0.55	0.84
RMSD4	0.70	0.52
HydProp	0.80	0.81

Binding sites consist of all atoms within 7 Å of the ligand.