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David Koes edited begin_table_begin_tabular_cccc__.tex
over 8 years ago
Commit id: fffa377e574c9898b4717592b537764b72044ffe
deletions | additions
diff --git a/begin_table_begin_tabular_cccc__.tex b/begin_table_begin_tabular_cccc__.tex
index 3075b4d..40e6d38 100644
--- a/begin_table_begin_tabular_cccc__.tex
+++ b/begin_table_begin_tabular_cccc__.tex
...
\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}