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David Koes edited begin_table_label_fragtable_begin__.tex
over 8 years ago
Commit id: 1963cad57fc072b6ea4f484af68193a9273d3714
deletions | additions
diff --git a/begin_table_label_fragtable_begin__.tex b/begin_table_label_fragtable_begin__.tex
index 04fd202..51f11b4 100644
--- a/begin_table_label_fragtable_begin__.tex
+++ b/begin_table_label_fragtable_begin__.tex
...
\begin{table}
\label{fragtable}
\begin{tabular}{ c c c c }
Fragment & SMARTS &
Confirmatory Assay ID & Actives & Decoys \\
\hline
CathG$_3$ & c1ccccc1[!H] &
832 & 24 & 12847 \\
ER$\alpha$ agonist$_2$ & c1ccccc1[!H] &
737 & 29 & 13390 \\
ER$\alpha_3$ & c1ccccc1[!H] &
713 & 22 & 13063 \\
ER$\beta_3$ & c1ccccc1[!H] &
733 & 23 & 12839 \\
FAK$_2$ & c1ccccc1([!H]) &
810 & 27 & 13250 \\
FXIa$_4$ & a1aaaa1[!H] &
846 & 24 & 7691 \\
HIVrt$_4$ & a1aaaa1[!H] &
652 & 18 & 9535 \\
HSP90$_2$ & c1ccccc1[!H] &
712 & 29 & 12915 \\
PKA$_1$ & c1[c,n]cccn1 &
466 & 25 & 5582 \\
PKA$_5$ & a1aaaaa1([!H]) &
466 & 29 & 13985 \\
Rho$_1$ & c1[c,n]cccn1 &
644 & 18 & 4593 \\
\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. Every MUV benchmark starts with 30 active compounds and 15000 decoys. }
\end{table}