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. Author manuscript; available in PMC: 2011 Nov 1.
Published in final edited form as: Eur J Med Chem. 2010 Sep 15;45(11):5406–5419. doi: 10.1016/j.ejmech.2010.09.001

Table 4.

Experimentally determined and predicted classes of FPR1/FPR2 agonists from the test set and their atom pairs used in binary classification tree analysis

Compound Determined CA_12_O2 C4_6_C4 BR_6_C4 BR_7_O1 C3_9_CA N2_3_O1 Terminal Node Predicted
AG-22 FPR1/FPR2 0 1 0 0 8 1 9 FPR2
AG-09/9 FPR1/FPR2 2 0 0 0 3 1 10 FPR1
AG-09/10 FPR1/FPR2 0 0 0 0 0 0 12 NA
AG-09/17 FPR1/FPR2 6 0 0 0 0 0 10 FPR1
AG-09/20 FPR1/FPR2 2 0 0 0 0 0 10 FPR1
AG-09/22 FPR1/FPR2 2 0 0 0 0 0 10 FPR1
B-25 FPR2 0 0 0 1 0 2 5 FPR2
B-35 FPR2 0 0 0 0 0 2 13 FPR2
B-42 FPR2 0 0 0 0 0 2 13 FPR2
B-43 FPR1/FPR2 0 0 0 0 0 2 13 FPR2
C-14a FPR1/FPR2 2 0 0 1 4 1 10 FPR1
C-14e FPR1/FPR2 2 0 0 0 4 1 10 FPR1
C-14h FPR1/FPR2 2 0 0 0 4 1 10 FPR1
C-14n FPR1/FPR2 2 0 0 0 4 1 10 FPR1
1910-5441 FPR1/ND 0 10 0 0 0 0 12 NA
fMLF FPR1/FPR2 0 8 0 0 0 3 13 FPR2
WKYMVm FPR1/FPR2 0 15 0 0 0 5 13 FPR2

ND, not determined; NA, non active.