David Koes edited begin_table_centering_label_fragtable__.tex  over 8 years ago

Commit id: b6b114ff5e47bb1102434eeff9510249695ce3ff

deletions | additions      

       

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*}