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. 2021 Nov 2;11(56):35383–35391. doi: 10.1039/d1ra05785e

Average enrichment factor at 1% (EF1) for each individual program calculated on the 34 benchmark targets, and the average fold increase of the ECR method over each program.

Average ICM rDock Auto Dock 4 PLANTS
EF1 23.5 10.5 5.8 9.9
Fold increasea 1.4 3.4b 7.4c 3.2d
a

Average value calculated as Inline graphic, where N is the number of targets.

b

This value does not include XIAP and ANDR, which had EF = 0, and therefore make the average fold increase ≫ 100.

c

This value does not include these five targets: HXK4, NRAM, XIAP, DYR and PNPH, which had EF = 0, and therefore make the average fold increase ≫ 100.

d

This value does not include FABP4 and PYRD, which had EF = 0, and therefore make the average fold increase ≫ 100.