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\subsection*{Estrogen Receptor $\alpha$}  Virtual screening results for estrogen receptor $\alpha$ agonists and inhibitors are shown in Figures~\ref{eralphapot} and \ref{eralpha}. RDKit was marginally successful at identifying inhibitors with an AUC of 0.59 but the remaining methods were less successful with AUCs ranging from 0.43 to 0.52 and none of the shape-based methods exhibited early enrichment.This suggests that this particular dataset is ill-suited for shape-based screening using the reference query molecules.  The shape constraint queries lacked statistical significance and the most significant queries identified a large percentage of the total compounds in the database, resulting in longer running times.