Table 3 The EF values of virtual screening four targets in DUD-E dataset
EF (%) | ampc | cp3a4 | cxcr4 | kif11 | Mean | |
|---|---|---|---|---|---|---|
Vina | 1 | 0 | 3.593 | 0 | 24.14 | 6.933 |
2 | 0 | 2.695 | 0 | 18.53 | 5.307 | |
5 | 0 | 2.156 | 0.5 | 10.69 | 3.337 | |
PSO-c4 | 1 | 0 | 3.593 | 2.5 | 24.14 | 7.558 |
2 | 1.042 | 2.096 | 1.25 | 17.67 | 5.515 | |
5 | 0.833 | 1.796 | 0.5 | 11.03 | 3.541 | |
PSOVina | 1 | 0 | 1.796 | 2.5 | 19.83 | 6.031 |
2 | 1.042 | 1.796 | 1.25 | 12.93 | 4.255 | |
5 | 0.417 | 1.796 | 0.5 | 9.31 | 3.006 | |
GWOVina | 1 | 0 | 3.593 | 0 | 25.86 | 7.364 |
2 | 0 | 2.695 | 0 | 18.97 | 5.415 | |
5 | 0.417 | 2.275 | 1 | 10.69 | 3.596 | |
MPSOVina | 1 | 0 | 4.192 | 0 | 28.45 | 8.16 |
2 | 0 | 2.395 | 1.25 | 18.97 | 5.653 | |
5 | 0.833 | 2.036 | 0.5 | 10.86 | 3.558 | |
MRDPSO-c4 | 1 | 0 | 2.994 | 0 | 24.14 | 6.783 |
2 | 0 | 2.395 | 1.25 | 16.81 | 5.114 | |
5 | 0.833 | 1.916 | 0.5 | 10.52 | 3.442 | |
MRDPSOVina | 1 | 0 | 3.593 | 0 | 27.59 | 7.795 |
2 | 0 | 2.695 | 1.25 | 18.53 | 5.62 | |
5 | 0.417 | 2.156 | 0.5 | 11.03 | 3.527 |