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David Koes edited begin_table_centering_label_fragtable__.tex
over 8 years ago
Commit id: b6b114ff5e47bb1102434eeff9510249695ce3ff
deletions | additions
diff --git a/begin_table_centering_label_fragtable__.tex b/begin_table_centering_label_fragtable__.tex
index 2b57811..51ddb7e 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 agonist$_2$ & c1ccccc1[!H] & 737 & 29 & 13390 \\
% $_2$
ER$\alpha$ ER$\alpha_3$ & c1ccccc1[!H] & 713 & 22 & 13063 \\
% _3
ER$\beta$ ER$\beta_3$ & c1ccccc1[!H] & 733 & 23 & 12839 \\
%_3
FAK FAK$_3$ & a1aaaaa1[!H] & 810 & 29 & 13891 \\
% $_3$
FXIa FXIa$_4$ & a1aaaa1[!H] & 846 & 24 & 7691 \\
% $_4$
HIVrt HIVrt$_4$ & a1aaaa1[!H] & 652 & 18 & 9535 \\
% $_4$
HSP90 HSP90$_2$ & c1ccccc1[!H] & 712 & 29 & 12915 \\
% $_2$
PKA PKA$_1$ & c1[c,n]cccn1 & 466 & 25 & 5582 \\
% $_1$
PKA$_\mathrm{alt}$ PKA$_5$ & a1aaaaa1[!H] & 466 & 29 & 13985 \\
% $_5$
Rho Rho$_1$ & 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*}