\subsection*{Factor XIa}

Virtual screening results for factor XIa (FXIA) are shown in Figure~\ref{fxia}. All three shape similarity methods perform worse than random with AUCs ranging from 0.31 (VAMS) to 0.42 (RDKit and FOMS), with both VAMS and FOMS failing to identify any actives early in the screen.  Shape constraints do not select enriched subsets and the pre-alignment methods exhibit no early enrichment behavior.  