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\subsection*{FXIa} \subsection*{Factor XIa}  Virtual screening results for factor XIa (FXIA) are shown in Figure~\ref{fxia}. The optimizing shape alignment of RDKit provides some enrichment with an AUC of 0.58. Although FOMS outperforms VAMS, both VAMS and FOMS perform worse than random with AUCs of 0.31 and 0.42 for VAMS and FOMS respectively. Shape constraints do not select enriched subsets. These results suggest that although the shape of the query molecule provides some information, neither the placement of the fragment nor the whole molecule provides useful information for pre-alignment.