David Koes edited begin_table_begin_tabular_c__.tex  over 8 years ago

Commit id: 9ef0aa5b3a4437f223db75aea2c2571707a4f7e2

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\begin{tabular}{ c c c c }  Fragment & SMARTSExpression & #Actives & #Decoys \\ \hline   Cathg1 & c1ccccc1[R] & 15 & 8186\\   Cathg2 & c1ccccc1[C] & 21 & 7600  \\ Cathg3 & c1ccccc1[!H] \\ & 24 & 12847\\  Cathg4 & a1aaaaa1[!H]\\   Cathg5  & c1ccccc1[C] \\ 24 & 13897\\  Eralphapot1 & c1ccccc1O & 15 &  \\ Eralphapot2 & c1ccccc1[!H] & 29 &  \\ Eralphapot3 & a1aaaaa1[!H] \\ & 30 &\\  Eralpha1 & c1ccccc1O & 6 &  \\ Eralpha2 & c1ccccc1N \\ & 14 &\\  Eralpha3 & c1ccccc1[!H] & 22 &  \\ Eralpha4 & a1aaaaa1[!H] \\ & 26 &\\  Erbeta1 & c1ccccc1O & 4 &  \\ Erbeta2 & c1ccccc1N & 9 &  \\ Erbeta3 & c1ccccc1[!H] & 23 &  \\ Erbeta4 & a1aaaaa1[!H] & 24 &  \\ Fak1 & c1[c,n]cccn1 &  \\ Fak2 & c1cccc([!H])c1 \\   Fak3 & a1a([!H])aaaa1 \\   Fak4 & n1[c,n][c,n]cc1 \\   Fxia1 & a1aan1 a1aaan1 & 17 &  \\ Fxia2 & c1[c,n]cc[c,s]1 & 13 &  \\ Fxia3 & c1[c,n]cc([!H])[c,s,o]1 \\ & 18 &\\  Fxia4 & a1aaaa1[!H] \\ & 24 &\\  Hivrt1 & a1aaan1 \\ & 18 &\\  Hivrt2 & c1aacn1 \\ & 17 &\\  Hivrt3 & c1aac([!H])n1 \\ & 16 &\\  Hivrt4 & a1aaaa1[!H] & 18  \\ Hivrt5 & c1ccccc1[Cl,O] & 15  \\ Hsp901 & c1ccccc1O & 22 &  \\ Hsp902 & c1ccccc1[!H] & 27 &  \\ Hsp903 & a1aaaaa1[!H] \\ & 27 &\\  Pka1 & c1[c,n]cccn1 \\ & 25 &\\  Pka2 & a1ncccn1 \\ & 15 &\\  Pka3 & a1([!H])ncccn1 \\ & 4 &\\  Pka4 & c1[c,n]c([!H])ccn1 \\ & 23 &\\  Rho1 & c1[c,n]cccn1 &  \\ Rho2 & c1[c,n]c([!H])ccn1 \\   \end{tabular}   \caption{SMARTS expressions for anchor fragments evaluated in each MUV benchmark shown with the number of active and decoy compounds from the benchmark that contain that fragment. Every MUV benchmark starts with 30 active compounds and 15000 decoys.  }   \end{table}