David Koes edited subsection_ER_alpha_Virtual_screening__.tex  over 8 years ago

Commit id: cfd20cc94486645bdab0670c90fb4533d2d3d7eb

deletions | additions      

       

\subsection{ER$\alpha$}  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.