David Koes edited begin_table_begin_tabular_cccc__.tex  over 8 years ago

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\begin{table} \label{tab:fragments}  \begin{tabular}{cccc}  Fragment & SMARTS Expression & #Actives & #Decoys\\ \hline  Cathg1 & c1ccccc1[R] \\ Cathg2 & c1ccccc1[C] \\ Cathg3 & c1ccccc1[!H] \\ Cathg4 & a1aaaaa1[!H] \\ Cathg5 & c1ccccc1[C]  \\ c1ccccc1[C]\\  Eralphapot1 & c1ccccc1O \\ Eralphapot2 & c1ccccc1[!H]  \\ c1ccccc1[!H]\\  Eralphapot3 & a1aaaaa1[!H]  \\ a1aaaaa1[!H]\\  Eralpha1 & c1ccccc1O  \\ c1ccccc1O\\  Eralpha2 & c1ccccc1N  \\ c1ccccc1N\\  Eralpha3 & c1ccccc1[!H]  \\ c1ccccc1[!H]\\  Eralpha4 & a1aaaaa1[!H] \\ Erbeta1 & c1ccccc1O  \\ c1ccccc1O\\  Erbeta2 & c1ccccc1N  \\ c1ccccc1N\\  Erbeta3 & c1ccccc1[!H] \\ Erbeta4 & a1aaaaa1[!H] \\ Fak1 & c1[c,n]cccn1  \\ c1[c,n]cccn1\\  Fak2 & c1cccc([!H])c1  \\ c1cccc([!H])c1\\  Fak3 & a1a([!H])aaaa1  \\ a1a([!H])aaaa1\\  Fak4 & n1[c,n][c,n]cc1  \\ n1[c,n][c,n]cc1\\  Fxia1 & a1aan1  \\ a1aan1\\  Fxia2 & c1[c,n]cc[c,s]1  \\ c1[c,n]cc[c,s]1\\  Fxia3 & c1[c,n]cc([!H])[c,s,o]1  \\ c1[c,n]cc([!H])[c,s,o]1\\  Fxia4 & a1aaaa1[!H]  \\ a1aaaa1[!H]\\  Hivrt1 & a1aaan1  \\ a1aaan1\\  Hivrt2 & c1aacn1  \\ c1aacn1\\  Hivrt3 & c1aac([!H])n1  \\ c1aac([!H])n1\\  Hivrt4 & a1aaaa1[!H]  \\ a1aaaa1[!H]\\  Hivrt5 & c1ccccc1[Cl,O]  \\ c1ccccc1[Cl,O]\\  Hsp901 & c1ccccc1O  \\ c1ccccc1O\\  Hsp902 & c1ccccc1[!H]  \\ c1ccccc1[!H]\\  Hsp903 & a1aaaaa1[!H]  \\ a1aaaaa1[!H]\\  Pka1 & c1[c,n]cccn1  \\ c1[c,n]cccn1\\  Pka2 & a1ncccn1  \\ a1ncccn1\\  Pka3 & a1([!H])ncccn1  \\ a1([!H])ncccn1\\  Pka4 & c1[c,n]c([!H])ccn1  \\ c1[c,n]c([!H])ccn1\\  Rho1 & c1[c,n]cccn1  \\ c1[c,n]cccn1\\  Rho2 & c1[c,n]c([!H])ccn1  \\ 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.}  \end{table}