Best practices for chemical data curation and QSAR model ...
Best practices for chemical data curation and QSAR model ...
Best practices for chemical data curation and QSAR model ...
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<strong>QSAR</strong> vs. Docking: Application of <strong>QSAR</strong><br />
Approaches to the Analysis of Binding Decoys<br />
Decoys are frequently<br />
indistinguishable from binders<br />
using typical SB scoring<br />
functions.*<br />
Characteristic AmpC Lig<strong>and</strong>s <strong>and</strong> Decoys <strong>and</strong> Their Ranks by Different Scoring<br />
Functions. Blue = DOCK, magenta = ScreenScore, yellow = FlexX, cyan = PLP, purple<br />
= PMF, <strong>and</strong> red = SMoG (SMoG ranks are based on a ranking, which does not include<br />
halogenated compounds).<br />
*J. Med. Chem. 2005, 48, 3714-3728
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