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Table 5 Results of the docking run (MCS ext top 25)

From: Improving structural similarity based virtual screening using background knowledge

Rank CID Score Rank MCS ext Δ Rank MCSext
1 ZINC00588723 -10.382184 16 -15
2 24848419 -7.980885 3 -1
3 ZINC01253780 -7.385909 9 -6
4 ZINC00625939 -7.157018 11 -7
5 ZINC01032240 -7.104563 5 0
6 ZINC00864379 -7.052449 10 -4
7 ZINC00026851 -6.910078 19 -12
8 ZINC00714466 -6.702119 6 2
9 ZINC01112466 -6.667553 7 2
10 64715 -6.654007 12 -2
  1. Results of the docking run (MCS ext top 25). Δ Rank =Rank docking Rank MCS or ECFP . A negative Δ Rank value means, in the extended similarity the compound is ranked lower, a positive Δ Rank that it is ranked higher than by the docking procedure. For the complete table, refer to Additional file 1: Table S1.