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David Koes edited begin_table_label_fragtable_begin__.tex
over 8 years ago
Commit id: d3be9fadc424cb6757a810b959d8114340395b49
deletions | additions
diff --git a/begin_table_label_fragtable_begin__.tex b/begin_table_label_fragtable_begin__.tex
index 1b699e4..04fd202 100644
--- a/begin_table_label_fragtable_begin__.tex
+++ b/begin_table_label_fragtable_begin__.tex
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HIVrt$_4$ & a1aaaa1[!H] & 18 & 9535 \\
HSP90$_2$ & c1ccccc1[!H] & 29 & 12915 \\
PKA$_1$ & c1[c,n]cccn1 & 25 & 5582 \\
PKA$_2$ & a1ncccn1 & 15 & 3231 \\
PKA$_3$ & a1([!H])ncccn1 & 14 & 2118 \\
PKA$_4$ & c1[c,n]c([!H])ccn1 & 24 & 4970 \\ PKA$_5$ &
a1aa([!H])aaa1 a1aaaaa1([!H]) & 29 & 13985 \\
Rho$_1$ & c1[c,n]cccn1 & 18 & 4593 \\
Rho$_2$ & c1[c,n]c([!H])ccn1 & 14 & 4007 \\
\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}