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David Koes edited begin_table_label_tab_fragments__.tex
over 8 years ago
Commit id: 06d4093c241c7420eae70a67711198d587c076ff
deletions | additions
diff --git a/begin_table_label_tab_fragments__.tex b/begin_table_label_tab_fragments__.tex
index 40e6d38..900272c 100644
--- a/begin_table_label_tab_fragments__.tex
+++ b/begin_table_label_tab_fragments__.tex
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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}