deletions | additions       diff --git a/subsection_Dataset_The_specific_modality__.tex b/subsection_Dataset_The_specific_modality__.tex  index 97ea28d..cf7a559 100644  --- a/subsection_Dataset_The_specific_modality__.tex  +++ b/subsection_Dataset_The_specific_modality__.tex 
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Of the 17 targets in the MUV dataset, we identified 10 that had a receptor-ligand structure in the Protein Data Bank (PDB) where the ligand had sub-$\mu$M affinity. The interaction diagrams of these structures are shown in Figure~\ref{targets}. For each of these structures we identified interacting fragments that could potentially serve as anchor fragments. For each target we consider a variety of fragments in order to evaluate the sensitivity of the approach to the choice of fragment. We selected relatively generic functional groups (at most \textbf{X} atoms) that were sufficiently common among both the actives and decoys to yield meaningful results and that were clearly forming interactions with the receptor.  \textbf \begin{table}   \begin{tabular}{}  Fragment  SMARTS      Cathg1  c1ccccc1[R]      Cathg2  c1ccccc1[C]      Cathg3  c1ccccc1[!H]      Cathg4  a1aaaaa1[!H]      Cathg5  c1ccccc1[C]      Eralpha_pot1  c1ccccc1O      Eralpha_pot2  c1ccccc1[!H]      Eralpha_pot3  a1aaaaa1[!H]      Eralpha1  c1ccccc1O      Eralpha2  c1ccccc1N      Eralpha3  c1ccccc1[!H]      Eralpha4  a1aaaaa1[!H]      Erbeta1  c1ccccc1O      Erbeta2  c1ccccc1N      Erbeta3  c1ccccc1[!H]      Erbeta4  a1aaaaa1[!H]      Fak1  c1[c,n]cccn1      Fak2  c1cccc([!H])c1      Fak3  a1a([!H])aaaa1      Fak4  n1[c,n][c,n]cc1      Fxia1  a1aaan1      Fxia2  c1[c,n]cc[c,s]1      Fxia3  c1[c,n]cc([!H])[c,s,o]1      Fxia4  a1aaaa1[!H]      Hivrt1  a1aaan1      Hivrt2  c1aacn1      Hivrt3  c1aac([!H])n1      Hivrt4  a1aaaa1[!H]      Hivrt5  c1ccccc1[Cl,O]      Hsp901  c1ccccc1O      Hsp902  c1ccccc1[!H]      Hsp903  a1aaaaa1[!H]      Pka1  c1[c,n]cccn1      Pka2  a1ncccn1      Pka3  a1([!H])ncccn1      Pka4  c1[c,n]c([!H])ccn1      Rho1  c1[c,n]cccn1      Rho2  c1[c,n]c([!H])ccn1   \end{tabular}   \end{table}