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Table 4 Results of the docking run (MCS top 25)

From: Improving structural similarity based virtual screening using background knowledge

Rank CID Score R a n k M C S Δ Ran k MCS
1 60823 -10.564 2 -1
2 ZINC02336737 -5.808526 13 -11
3 ZINC00026851 -5.699634 19 -16
4 ZINC00588719 -5.568737 11 -7
5 ZINC00599752 -5.46502 5 0
6 ZINC00588053 -5.463745 16 -10
7 ZINC00864379 -5.291673 15 -8
8 ZINC01253780 -5.211104 14 -6
9 ZINC00714466 -5.149133 9 0
10 ZINC00588723 -5.14689 4 6
  1. Results of the docking run (MCS top 25). Δ Rank =Rank docking Rank MCS . A negative Δ Rank value means, in the MCS 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.