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David Koes edited begin_table_centering_label_fragtable__.tex
over 8 years ago
Commit id: 59048f3914f9468493b7288f65a7e464553843ca
deletions | additions
diff --git a/begin_table_centering_label_fragtable__.tex b/begin_table_centering_label_fragtable__.tex
index 25398d5..2b57811 100644
--- a/begin_table_centering_label_fragtable__.tex
+++ b/begin_table_centering_label_fragtable__.tex
...
\begin{tabular}{ c c c c c}
Fragment & SMARTS & Confirmatory Assay ID & Actives & Decoys \\
\hline
CathG$_3$ CathG & c1ccccc1[!H] & 832 & 24 & 12847 \\
% $_3$
ER$\alpha$
agonist$_2$ agonist & c1ccccc1[!H] & 737 & 29 & 13390 \\
ER$\alpha_3$ % $_2$
ER$\alpha$ & c1ccccc1[!H] & 713 & 22 & 13063 \\
ER$\beta_3$ % _3
ER$\beta$ & c1ccccc1[!H] & 733 & 23 & 12839 \\
FAK$_3$ %_3
FAK & a1aaaaa1[!H] & 810 & 29 & 13891 \\
FXIa$_4$ % $_3$
FXIa & a1aaaa1[!H] & 846 & 24 & 7691 \\
HIVrt$_4$ % $_4$
HIVrt & a1aaaa1[!H] & 652 & 18 & 9535 \\
HSP90$_2$ % $_4$
HSP90 & c1ccccc1[!H] & 712 & 29 & 12915 \\
PKA$_1$ % $_2$
PKA & c1[c,n]cccn1 & 466 & 25 & 5582 \\
PKA$_5$ % $_1$
PKA$_\mathrm{alt}$ & a1aaaaa1[!H] & 466 & 29 & 13985 \\
Rho$_1$ % $_5$
Rho & c1[c,n]cccn1 & 644 & 18 & 4593 \\
% $_1$
\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*}