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. Author manuscript; available in PMC: 2018 Mar 28.
Published in final edited form as: J Chem Inf Model. 2017 Jul 12;57(7):1579–1590. doi: 10.1021/acs.jcim.7b00153

Table 6.

EF1 for Consensus Methods and Best Individual Performancea

Target Best Consensus (+HYBRID)
Consensus (−HYBRID)
BCS MVC Mean Med Max Min BCS MVC Mean Med Max Min



ADRB1 25 31 27 28 24 21 19 22 24 25 23 19 20
DRD3 10 13 7 12 11 4 11 12 5 10 9 4 8
GRIA2 47 49 46 45 33 24 28 41 31 31 25 22 18
BRAF 29 29 23 22 15 21 6 22 20 17 11 19 4
CDK2 30 35 27 29 24 23 14 25 21 22 20 17 15
PLK1 10 8 8 5 4 7 1 4 4 3 3 5 0
SRC 7 7 9 7 6 6 5 8 9 6 6 7 4
FABP4 32 34 32 32 32 13 6 32 32 26 30 11 6
ESR1 37 38 37 34 34 32 16 37 36 32 33 31 14
ESR2 40 35 34 31 28 26 9 32 30 27 23 26 7
ACE 24 33 30 30 26 19 13 32 28 28 24 19 13
GLCM 35 37 30 30 28 19 19 22 22 22 19 15 19
HDAC8 32 45 46 46 41 20 35 32 38 38 34 16 32
HIVNT 15 19 21 17 11 13 10 15 18 16 13 12 11
PDE5A 31 32 28 26 26 19 13 24 23 23 24 14 12
PTN1 26 35 37 35 32 30 20 35 32 32 28 27 18
ADA 17 17 19 17 16 17 11 4 14 16 15 15 10 3
FA10 27 26 30 33 30 23 19 25 29 32 28 22 18
HIVPR 15 19 16 18 18 9 15 17 15 17 15 9 15
MMP13 30 34 25 26 24 20 18 23 20 22 21 16 15
TRY1 39 33 31 28 27 24 18 30 30 28 24 23 16
mean 27 29 27 26 23 18 14 24 23 22 20 16 13
std. dev. 11 11 11 11 10 8 8 10 9 9 8 7 7
a

Colors represent a 3-point gradient from worst (red) to best (green). “Best” indicates the best performance across docking programs.

BCS = boosting consensus score, MVC = mean-variance consensus.