Table 7.

Comparison of R² and RMSD between LISA and other scoring functions for the Muegge and Martin's test set

			correlation (R2)
No.	set	no. of complexes	LISA	ITScore/SE20	ITScore19	PMF9912	DrugScore15	BLEEP52	SMoG0116	SCORE131	SMOG53
1	serine protease	16	0.91	0.89	0.87	0.87	0.86	0.79	0.81	0.76	0.76
2	metalloprotease	15	0.93	0.71	0.71	0.58	0.70	0.59	0.64	0.41	0.58
3	L-arabinose binding protein	18	0.43	0.48	0.49	0.48	0.22	0.14	0.06	0.00	0.04
4	endothiapepsin	11	0.33	0.36	0.35	0.22	0.30	0.04	0.03	0.39	0.05
5	others	17	0.83	0.8	0.7	0.69	0.43	0.49	0.50	0.53	0.25
6	sets 1–5	77	0.68	0.76	0.65	0.61	n/a	0.28	0.46	0.30	0.21

			RMSD
No.	set	no. of complexes	LISA	ITScore/SE20	ITScore19	PMF9912	DrugScore15	BLEEP52	SMoG0116	SCORE131	SMOG53
1	serine protease	16	0.97	n/a	n/a	0.96	0.95	n/a	1.09	1.39	1.34
2	metalloprotease	15	0.89	n/a	n/a	2.31	1.53	n/a	1.62	3.27	2.29
3	L-arabinose binding protein	18	1.87	n/a	n/a	0.86	0.75	n/a	0.8	69.7	4.06
4	endothiapepsin	11	1.81	n/a	n/a	1.89	0.94	n/a	1	1.26	4.18
5	others	17	1.66	n/a	n/a	1.56	1.85	n/a	1.63	2.21	4.05
6	sets 1–5	77	1.42	n/a	n/a	1.84	n/a	n/a	1.69	3.47	4.43