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David Koes edited begin_table_label_fragtable_begin__.tex
over 8 years ago
Commit id: 389aa965f7e8be6e0b6b07ffdd395b7dffc5f847
deletions | additions
diff --git a/begin_table_label_fragtable_begin__.tex b/begin_table_label_fragtable_begin__.tex
index 908ff55..38a9034 100644
--- a/begin_table_label_fragtable_begin__.tex
+++ b/begin_table_label_fragtable_begin__.tex
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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]) 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]) 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. }