David Koes edited begin_table_begin_tabular_c__.tex  over 8 years ago

Commit id: 8a08dd1410d180090e22268fbcc43c64b92cd7ae

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\begin{table}   \begin{tabular}{ c c c c }  Fragment & SMARTSExpression & Actives & Decoys \\ \hline Cathg$_1$ & c1ccccc1[R] & 15 & 8186\\   Cathg2 8186 \\   Cathg$_2$  & c1ccccc1[C] & 21 & 7600 \\ Cathg3 Cathg$_3$  & c1ccccc1[!H] & 24 & 12847\\   Cathg4 12847 \\   Cathg$_4$  & a1aaaaa1[!H] & 24 & 13897\\   Eralphapot1 13897 \\   Eralphapot$_1$  & c1ccccc1O & 15 & 5252\\   Eralphapot2 5252 \\   Eralphapot$_2$  & c1ccccc1[!H] & 29 & 13390 \\ Eralphapot3 Eralphapot$_3$  & a1aaaaa1[!H] & 30 & 14214\\   Eralpha1 14214 \\   Eralpha$_1$  & c1ccccc1O & 6 & 5488 \\ Eralpha2 Eralpha$_2$  & c1ccccc1N & 14 & 4914\\   Eralpha3 4914 \\   Eralpha$_3$  & c1ccccc1[!H] & 22 & 13063\\   Eralpha4 13063 \\   Eralpha$_4$  & a1aaaaa1[!H] & 26 & 13986\\   Erbeta1 13986 \\   Erbeta$_1$  & c1ccccc1O & 4 & 5101 \\ Erbeta2 Erbeta$_2$  & c1ccccc1N & 9 & 4774\\   Erbeta3 4774 \\   Erbeta$_3$  & c1ccccc1[!H] & 23 & 12839\\   Erbeta4 12839 \\   Erbeta$_4$  & a1aaaaa1[!H] & 24 & 13814\\   Fak1 13814 \\   Fak$_1$  & c1[c,n]cccn1 & 12 & 4568\\   Fak2 4568 \\   Fak$_2$  & c1cccc([!H])c1 & 27 & 13250\\   Fak3 13250 \\   Fak$_3$  & a1a([!H])aaaa1 & 29 & 14181\\   Fak4 14181 \\   Fak$_4$  & n1[c,n][c,n]cc1 & 9 & 3301\\   Fxia1 3301 \\   Fxia$_1$  & a1aaan1 & 17 & 5505 \\ Fxia2 Fxia$_2$  & c1[c,n]cc[c,s]1 & 13 & 3491\\   Fxia3 3491 \\   Fxia$_3$  & c1[c,n]cc([!H])[c,s,o]1 & 18 & 4468\\   Fxia4 4468 \\   Fxia$_4$  & a1aaaa1[!H] & 24 & 7691\\   Hivrt1 7691 \\   Hivrt$_1$  & a1aaan1 & 18 & 7455\\   Hivrt2 7455 \\   Hivrt$_2$  & c1aacn1 & 17 & 4949\\   Hivrt3 4949 \\   Hivrt$_3$  & c1aac([!H])n1 & 16 & 4546\\   Hivrt4 4546 \\   Hivrt$_4$  & a1aaaa1[!H] & 18 & 9535\\   Hivrt5 9535 \\   Hivrt$_5$  & c1ccccc1[Cl,O] & 15 & 5979\\   Hsp901 5979 \\   Hsp90$_1$  & c1ccccc1O & 22 & 5582 \\ Hsp902 Hsp90$_2$  & c1ccccc1[!H] & 29 & 12915\\   Hsp903 12915 \\   Hsp90$_3$  & a1aaaaa1[!H] & 29 & 13889\\   Pka1 13889 \\   Pka$_1$  & c1[c,n]cccn1 & 25 & 5582 \\ Pka2 Pka$_2$  & a1ncccn1 & 15 & 3231\\   Pka3 3231 \\   Pka$_3$  & a1([!H])ncccn1 & 14 & 2118\\   Pka4 2118 \\   Pka$_4$  & c1[c,n]c([!H])ccn1 & 24 & 4970\\   Pka5 4970 \\   Pka$_5$  & a1aa([!H])aaa1 & 29 & 13985\\   Rho1 13985 \\   Rho$_1$  & c1[c,n]cccn1 & 18 & 4593\\   Rho2 4593 \\   Rho$_2$  & c1[c,n]c([!H])ccn1 & 14 & 4007\\ 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}