David Koes edited begin_table_label_fragtable_begin__.tex  over 8 years ago

Commit id: 1963cad57fc072b6ea4f484af68193a9273d3714

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\begin{table}   \label{fragtable}  \begin{tabular}{ c c c c }  Fragment & SMARTS & Confirmatory Assay ID &  Actives & Decoys \\ \hline  CathG$_3$ & c1ccccc1[!H] & 832 &  24 & 12847 \\ 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]) & 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]) & 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. }   \end{table}