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. Author manuscript; available in PMC: 2013 Jan 23.
Published in final edited form as: J Chem Inf Model. 2011 Dec 14;52(1):16–28. doi: 10.1021/ci2002507

Table 3.

Average 2D Tc of the active ligands retrieved from the top 20 ranking list of scoring approaches (FieldScreen, FLAP∷LBX, FLAP∷RBLB, and MedusaScore + filter).

Target 2D similarity
FieldScreen FLAP∷LBX FLAP∷RBLB MedusaScore + Filter
ace 0.75 0.76 0.59 0.74
ache 0.75 0.81 0.52 0.48
cdk2 0.72 0.50 0.49 0.70
cox2 0.88 0.88 0.68 NA
egfr 0.58 0.50 0.45 0.64
fxa 0.49 0.95 0.45 0.45
hivrt 0.78 0.79 0.60 0.59
inha 0.82 0.82 0.69 0.81
p38 0.66 NA 0.45 0.57
pde5 0.74 0.67 0.57 0.69
pdgfrb 0.64 0.64 0.47 0.66
src 0.44 NA 0.47 0.45
vegfr2 0.59 0.67 0.48 0.47
Aver. Similarity 0.68 0.73 0.53 0.60