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David Koes edited begin_table_label_fragtable_begin__.tex
over 8 years ago
Commit id: ff5c16090ae179379f05ec8fc90b91149fb2a0a2
deletions | additions
diff --git a/begin_table_label_fragtable_begin__.tex b/begin_table_label_fragtable_begin__.tex
index 4b99e1c..191d388 100644
--- a/begin_table_label_fragtable_begin__.tex
+++ b/begin_table_label_fragtable_begin__.tex
...
\begin{tabular}{ c c c c }
Fragment & SMARTS & Actives & Decoys \\
\hline
CathG$_1$ & c1ccccc1[R] & 15 & 8186 \\
CathG$_2$ & c1ccccc1[C] & 21 & 7600 \\
CathG$_3$ & c1ccccc1[!H] & 24 & 12847 \\
CathG$_4$ & a1aaaaa1[!H] & 24 & 13897 \\
ER$\alpha$ agonist$_1$ & c1ccccc1O & 15 & 5252 \\
ER$\alpha$ agonist$_2$ & c1ccccc1[!H] & 29 & 13390 \\
ER$\alpha$ agonist$_3$ & a1aaaaa1[!H] & 30 & 14214 \\
ER$\alpha_1$ & c1ccccc1O & 6 & 5488 \\
ER$\alpha_2$ & c1ccccc1N & 14 & 4914 \\
ER$\alpha_3$ & c1ccccc1[!H] & 22 & 13063 \\
ER$\alpha_4$ & a1aaaaa1[!H] & 26 & 13986 \\
ER$\beta_1$ & c1ccccc1O & 4 & 5101 \\
ER$\beta_2$ & c1ccccc1N & 9 & 4774 \\
ER$\beta_3$ & c1ccccc1[!H] & 23 & 12839 \\
ER$\beta_4$ & a1aaaaa1[!H] & 24 & 13814 \\
FAK$_1$ & c1[c,n]cccn1 & 12 & 4568 \\ FAK$_2$ &
c1cccc([!H])c1 c1ccccc1([!H]) & 27 & 13250 \\
FAK$_3$ & a1a([!H])aaaa1 & 29 & 14181 \\
FAK$_4$ & n1[c,n][c,n]cc1 & 9 & 3301 \\
FXIa$_1$ & a1aaan1 & 17 & 5505 \\
FXIa$_2$ & c1[c,n]cc[c,s]1 & 13 & 3491 \\
FXIa$_3$ & c1[c,n]cc([!H])[c,s,o]1 & 18 & 4468 \\