Table 2 ROCE at 2 % of the binding site list considering top x% of the decoy site list
From: Evaluation of a novel virtual screening strategy using receptor decoy binding sites
Top % of decoy site list | ||||||
|---|---|---|---|---|---|---|
Target | 0 | 10 | 15 | 20 | 30 | 50 |
Comt | 10.4a | 11.2 | 11.2 | 11.2 | 11.2 | 11.2 |
AchE | 1.5a | 2.0 | 2.0 | 1.5 | 2.0 | 1.5 |
CDK2 | 13.3a | 15.7 | 15.7 | 15.7 | 11.9 | 5.8 |
HIVrt | 8.8a | 9.0 | 9.0 | 7.2 | 7.2 | 11.0 |
Pparg | 35.8a | 58.0 | 54.0 | 58.0 | 50.0 | 44.0 |
FGFR1 | 0.6 | 0.4 | 0.4 | 0.4 | 0.4 | 0.4 |
InhA | 12.4 | 3.1 | 3.1 | 2.5 | 1.2 | 0.0 |
PR | 0.0 | 0.0 | 0.0 | 0.0 | 1.9 | 4.0 |
RXRa | 70.8 | 97.4 | 70.8 | 40.5 | 17.7 | 23.6 |
VEGFr2 | 5.3 | 1.4 | 2.1 | 2.1 | 2.9 | 1.4 |
MR | 62.4 | 42.8 | 29.7 | 20.4 | 20.4 | 3.6 |
Hsp90 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 4.5 |
AmpC | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 |
Trypsin | 5.0 | 5.0 | 5.0 | 5.0 | 5.0 | 5.0 |
Parp | 5.1 | 3.2 | 7.1 | 7.1 | 7.1 | 9.4 |