Table 4 Median AUCs on the “1conf” dataset
Target (L/D) | ACPC | Pharao | MACCS | Shape-it |
|---|---|---|---|---|
ace (49/1753) | 0.47 | 0.55 | 0.75 | 0.48 |
ache (106/3711) | 0.80 | 0.56 | 0.67 | 0.63 |
ada (37/844) | 0.81 | 0.65 | 0.81 | 0.62 |
alr2 (23/939) | 0.61 | 0.61 | 0.70 | 0.63 |
ampc (21/767) | 0.88 | 0.87 | 0.90 | 0.81 |
ar (74/2709) | 0.73 | 0.66 | 0.72 | 0.79 |
cdk2 (58/1866) | 0.90 | 0.62 | 0.55 | 0.60 |
comt (10/425) | 0.82 | 0.85 | 0.90 | 0.40 |
cox1 (25/885) | 0.29 | 0.42 | 0.55 | 0.46 |
cox2 (411/12281) | 0.94 | 0.92 | 0.85 | 0.90 |
dhfr (405/7418) | 1.00 | 0.87 | 0.95 | 0.62 |
egfr (458/14449) | 0.92 | 0.94 | 0.83 | 0.54 |
er+ (67/2387) | 0.95 | 0.76 | 0.95 | 0.77 |
er- (39/1330) | 0.59 | 0.70 | 0.91 | 0.67 |
fgfr1 (120/4305) | 0.93 | 0.84 | 0.81 | 0.53 |
fxa (146/4969) | 0.94 | 0.79 | 0.85 | 0.72 |
gart (31/845) | 1.00 | 0.86 | 0.98 | 0.68 |
gpb (50/2072) | 0.99 | 0.95 | 0.89 | 0.62 |
gr (78/2803) | 0.75 | 0.77 | 0.83 | 0.69 |
hivpr (57/1797) | 0.70 | 0.72 | 0.60 | 0.80 |
hivrt (41/1433) | 0.86 | 0.51 | 0.47 | 0.65 |
hmga (35/1362) | 0.90 | 0.74 | 0.95 | 0.81 |
hsp90 (25/918) | 0.62 | 0.85 | 0.77 | 0.76 |
inha (79/3131) | 0.60 | 0.59 | 0.70 | 0.51 |
mr (14/561) | 0.77 | 0.71 | 0.87 | 0.87 |
na (49/1826) | 0.94 | 0.68 | 0.91 | 0.59 |
p38 (366/8722) | 0.55 | 0.90 | 0.72 | 0.66 |
parp (35/1296) | 1.00 | 0.92 | 0.90 | 0.60 |
pde5 (76/1955) | 0.66 | 0.71 | 0.64 | 0.60 |
pdgfrb (169/5560) | 0.50 | 0.72 | 0.59 | 0.57 |
pnp (30/962) | 0.99 | 0.93 | 0.87 | 0.59 |
ppar γ (82/2635) | 0.91 | 0.88 | 0.92 | 0.83 |
pr (27/989) | 0.81 | 0.76 | 0.73 | 0.57 |
rxr α (20/724) | 0.85 | 1.00 | 0.99 | 0.62 |
sahh (32/1250) | 0.99 | 0.74 | 0.96 | 0.78 |
src (159/5904) | 0.91 | 0.80 | 0.74 | 0.53 |
thrombin (67/2308) | 0.86 | 0.79 | 0.77 | 0.69 |
tk (22/860) | 0.99 | 0.90 | 0.91 | 0.70 |
trypsin (46/1565) | 0.88 | 0.90 | 0.78 | 0.73 |
vegfr2 (77/2701) | 0.81 | 0.66 | 0.53 | 0.50 |
Average | 0.81 | 0.77 | 0.79 | 0.65 |
Median | 0.86 | 0.77 | 0.82 | 0.63 |
|Best method| | 20 | 7 | 13 | 3 |