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David Koes edited begin_table_centering_label_fragtable__.tex
over 8 years ago
Commit id: d9a695497a9b95a2bd32e9df5ac20c01d0b56205
deletions | additions
diff --git a/begin_table_centering_label_fragtable__.tex b/begin_table_centering_label_fragtable__.tex
index 51ddb7e..d3a30d6 100644
--- a/begin_table_centering_label_fragtable__.tex
+++ b/begin_table_centering_label_fragtable__.tex
...
Fragment & SMARTS & Confirmatory Assay ID & Actives & Decoys \\
\hline
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*}