In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

Table 3

The hit values of compounds in the training set mapping to hypotheses 03, 04, 07, and 08.

Comp.	Hypo-03	Hypo-04	Hypo-07	Hypo-08
1	3.208	3.265	3.288	3.156
2	3.165	3.303	3.061	3.880
3	3.665	3.390	3.502	3.775
4	3.980	3.980	4.000	3.887
5	3.999	3.999	3.988	3.784
6	3.749	3.660	3.605	3.583
7	3.210	3.408	3.362	3.528
8	2.992	2.980	2.997	3.029
9	2.990	2.994	2.977	3.648
10	3.578	3.369	3.661	3.078
11	2.669	2.776	2.780	2.865
12	2.658	2.7281	2.764	2.830
13	2.436	2.750	2.825	3.146
14	2.889	3.161	2.898	2.255
15	3.189	3.086	3.428	3.999
16	3.086	3.133	3.444	3.262
17	3.160	3.031	3.338	3.475
18	3.115	3.032	3.277	3.652
19	3.100	3.099	3.261	3.745
20	3.868	3.796	3.771	2.998
21	3.613	3.239	3.343	3.307
22	2.987	3.046	3.096	2.914