David Koes edited begin_table_label_tab_fragments__.tex  over 8 years ago

Commit id: 06d4093c241c7420eae70a67711198d587c076ff

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\begin{table} \label{tab:fragments}   \begin{tabular}{cccc} \begin{tabular}{ c c c c }  Fragment & SMARTS Expression SMARTSExpression  & #Actives & #Decoys\\ \hline  Cathg1 #Decoys \\   \hlineCathg1  & 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}