David Koes edited subsection_HSP90_Virtual_screening_results__.tex  over 8 years ago

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\subsection*{HSP90} \subsection*{Heat Shock Protein 90}  Virtual screening results heat shock protein 90 (HSP90) are shown in Figure~\ref{hsp90}. All three shape similarity methods perform poorly with AUCs from 0.38 (VAMS) to 0.51 (RDKit). The shape constraint queries can produce statistically significant enrichments and the pareto frontier matches or exceeds the ROC curve of RDKit. This suggests that this target benefits from a partial similarity search as opposed to a whole molecule similarity.