Screenscore - OpenEye Scientific Software
Screenscore - OpenEye Scientific Software
Screenscore - OpenEye Scientific Software
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How consistent is the scoring<br />
(average enrichment minus one standard deviation)<br />
Consensus structure<br />
(Fred 2.1)<br />
No Consensus Structure<br />
(Fred 2.0)<br />
Shape<br />
(Fred 1)<br />
MASC no MASC MASC No MASC No MASC<br />
Shapegauss 2.1 -1.4 -0.1 -1.2 -1.5<br />
PLP 2.7 3.5 -0.6 1.7 3.1<br />
Chemgauss 1.6 3.6 -0.1 2.1 1.4<br />
Chemscore 1.7 -0.6 0.6 -1.3 -0.8<br />
<strong>Screenscore</strong> 2.4 2.2 0.0 0.7 2.1<br />
Consensus<br />
Scoring<br />
4.5 1.2 1.7 0.2 1.9<br />
*Docking time is ~10sec/molecules, 1Ghz Pentium II
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