Table 2.

Average predictive accuracies for the remaining ligand types and the all ligand types

	Top 5	Top 10	Top 15	Top 20	Top 25
110 ligands	0.234	0.417	0.526	0.592	0.642
117 ligandsa	0.254	0.438	0.547	0.611	0.659
Group (72)b	0.325	0.499	0.603	0.675	0.734
Group (65)	0.371	0.538	0.642	0.711	0.772
Group (60)	0.402	0.578	0.678	0.744	0.796
Group (55)	0.431	0.610	0.711	0.771	0.821
Group (50)	0.459	0.628	0.726	0.791	0.835

^aAll 117 ligands were used including the seven ligand types in Table 1. ^bAccuracies were calculated for ligand groups clustered with a SIMCOMP similarity score of 0.72, 0.65, 0.60, 0.55 and 0.50. All 117 ligand types were used.