Table 6 |
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|
awAUC values. |
|||||||
|
target |
DOCK |
FieldScreen |
MACCS |
OAK |
OAKFLEX |
2SHA |
OAAP |
|
|
|||||||
|
ace |
0.67 ± 0.03 |
0.64 |
0.86 ± 0.02 |
0.84 ± 0.03 |
0.81 ± 0.03 |
0.86 ± 0.03 |
0.72 ± 0.04 |
|
ache |
0.57 ± 0.02 |
0.62 |
0.37 ± 0.03 |
0.44 ± 0.03 |
0.46 ± 0.04 |
0.50 ± 0.04 |
0.50 ± 0.03 |
|
cdk2 |
0.53 ± 0.03 |
0.44 |
0.55 ± 0.02 |
0.55 ± 0.02 |
0.46 ± 0.02 |
0.48 ± 0.03 |
0.53 ± 0.03 |
|
cox2 |
0.68 ± 0.02 |
0.82 |
0.56 ± 0.02 |
0.77 ± 0.02 |
0.77 ± 0.01 |
0.79 ± 0.01 |
0.87 ± 0.01 |
|
egfr |
0.55 ± 0.02 |
0.82 |
0.60 ± 0.02 |
0.72 ± 0.02 |
0.70 ± 0.02 |
0.72 ± 0.02 |
0.49 ± 0.02 |
|
fxa |
0.72 ± 0.03 |
0.74 |
0.45 ± 0.03 |
0.46 ± 0.03 |
0.50 ± 0.03 |
0.56 ± 0.03 |
0.57 ± 0.03 |
|
hivrt |
0.73 ± 0.02 |
0.63 |
0.54 ± 0.04 |
0.53 ± 0.03 |
0.47 ± 0.03 |
0.53 ± 0.04 |
0.65 ± 0.03 |
|
inha |
0.26 ± 0.02 |
0.72 |
0.64 ± 0.03 |
0.53 ± 0.04 |
0.52 ± 0.04 |
0.64 ± 0.03 |
0.59 ± 0.04 |
|
p38 |
0.36 ± 0.02 |
0.27 |
0.38 ± 0.02 |
0.47 ± 0.03 |
0.49 ± 0.03 |
0.76 ± 0.01 |
0.43 ± 0.03 |
|
pde5 |
0.48 ± 0.04 |
0.62 |
0.28 ± 0.03 |
0.37 ± 0.04 |
0.32 ± 0.03 |
0.38 ± 0.03 |
0.35 ± 0.03 |
|
pdgfrb |
0.40 ± 0.02 |
0.40 |
0.54 ± 0.03 |
0.58 ± 0.03 |
0.52 ± 0.03 |
0.49 ± 0.03 |
0.58 ± 0.03 |
|
src |
0.52 ± 0.02 |
0.39 |
0.50 ± 0.02 |
0.66 ± 0.02 |
0.72 ± 0.02 |
0.74 ± 0.01 |
0.30 ± 0.02 |
|
vegfr2 |
0.42 ± 0.03 |
0.53 |
0.42 ± 0.03 |
0.31 ± 0.03 |
0.33 ± 0.02 |
0.54 ± 0.03 |
0.41 ± 0.03 |
|
|
|||||||
|
avg. rank |
4.27 |
3.42 |
4.50 |
4.04 |
4.62 |
3.08 |
3.92 |
|
|
|||||||
|
awAUC values of DOCK, FieldScreen, MACCS keys, and the optimal assignment methods. |
|||||||
|
Jahn et al. Journal of Cheminformatics 2009 1:14 doi:10.1186/1758-2946-1-14 |
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