BMC Chemistry

Table 1 Screening results with the fourth dataset for the top 50% of the database using dock- and pharmacophore- based VS, and a combination of both

From: IVSPlat 1.0: an integrated virtual screening platform with a molecular graphical interface

No	Dock	Phar	Both	No	Dock	Phar	Both	No	Dock	Phar	Both
1	√	x	x	25	√	√	√	49	√	√	√
2	√	√	√	26	x	√	x	50	√	√	√
3	√	√	√	27	√	√	√	51	√	√	√
4	√	√	√	28	√	√	√	52	√	√	√
5	√	x	x	29	√	√	√	53	√	√	√
6	√	x	x	30	√	√	√	54	√	√	√
7	√	x	x	31	√	√	√	55	√	√	√
8	√	x	x	32	√	√	√	56	√	√	√
9	x	√	x	33	√	√	√	57	√	√	√
10	x	√	x	34	√	√	√	58	x	√	x
11	√	√	√	35	x	√	x	59	x	√	x
12	√	√	√	36	√	√	√	60	x	√	x
13	√	√	√	37	√	√	√	61	√	√	√
14	√	√	√	38	√	√	√	62	√	x	x
15	√	√	√	39	√	√	√	63	√	√	√
16	√	√	√	40	√	√	√	64	√	√	√
17	√	√	√	41	√	√	√	65	√	√	√
18	√	√	√	42	√	√	√	66	√	√	√
19	√	√	√	43	√	√	√	67	√	√	√
20	√	√	√	44	√	√	√	68	√	√	√
21	√	√	√	45	√	√	√	69	√	√	√
22	√	√	√	46	√	√	√	70	√	√	√
23	√	√	√	47	√	√	√	71	√	√	√
24	√	√	√	48	√	√	√	72	√	x	x

In the table, Nos 1 to 72 represent ligands 1 to 72. "√" indicates that the ligand was successfully screened out, whereas "×" indicates that the ligand was not screened out.

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