Table 3.

Ranking results by experimental and predicted pLD₅₀ and fit score.

Compounds	Experimental pLD50	Fit Score (2V7O)	Fit Score (2VZ6)
6	1	3	3
20	2	1	12
12	3	4	9
1	4	2	4
11	5	7	2
14	6	8	13
16	7	5	6
7	8	17	15
8	9	10	11
27	10	23	17
13	11	12	19
15	12	11	5
32	13	18	18
5	14	22	8
33	15	13	29
21	16	15	1
25	17	9	20
22	18	25	25
17	19	20	16
28	20	24	30
9	21	16	32
29	22	32	14
2	23	30	24
30	24	31	26
18	25	21	27
10	26	26	21
23	27	29	31
31	28	33	7
26	29	14	23
4	30	28	33
3	31	6	10
19	32	27	28
24	33	19	22
NDCG	1	0.9122	0.8503