Table 1 ROCE at 1 % 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 | 33.4a | 39.0 | 39.0 | 39.0 | 39.0 | 39.0 |
AchE | 1.0a | 1.0 | 3.0 | 3.0 | 2.0 | 3.03 |
CDK2 | 14.3a | 23.6 | 29.7 | 23.6 | 29.7 | 14.3 |
HIVrt | 9.4a | 13.1 | 13.1 | 9.0 | 13.1 | 18.0 |
Pparg | 58.0a | 99.0 | 84.0 | 84.0 | 84.0 | 84.0 |
FGFR1 | 0.0 | 0.0 | 0.9 | 0.9 | 0.9 | 0.9 |
InhA | 14.6 | 5.3 | 5.3 | 5.3 | 2.5 | 0.0 |
PR | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 4.0 |
RXRa | 212.4 | 212.4 | 212.4 | 88.5 | 47.2 | 88.5 |
VEGFr2 | 10.2 | 2.9 | 2.9 | 2.9 | 1.4 | 1.4 |
MR | 178.3 | 178.3 | 71.3 | 71.3 | 71.3 | 71.3 |
Hsp90 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 |
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 | 7.1 | 7.1 | 7.1 | 7.1 | 7.1 | 11.9 |