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David Koes edited subsection_ER_alpha_Virtual_screening__.tex
over 8 years ago
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\subsection{ER$\alpha$} \subsection{Estrogen Receptor $\alpha$}
Virtual screening results for estrogen receptor $\alpha$ agonists and inhibitors are shown in Figures~\ref{eralphapot} and \ref{eralpha}. None of the shape-based methods exhibit successful virtual screening (AUCs range from 0.41 to 0.52) which 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.