David Koes edited begin_table_begin_tabular_c__.tex  over 8 years ago

Commit id: b245ced0124d01387ce063f31e04918af9692bab

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\begin{table}   \begin{tabular}{ c c c c }  Fragment & SMARTSExpression & Actives & Decoys \\ \hline  Cathg1 & c1ccccc1[R] & 15 & 8183\\ 8186\\  Cathg2 & c1ccccc1[C] & 21 & 7600 \\   Cathg3 & c1ccccc1[!H] & 24 & 12551\\ 12847\\  Cathg4 & a1aaaaa1[!H] & 24 & 13599\\ 13897\\  Eralphapot1 & c1ccccc1O & 15 & 5252\\   Eralphapot2 & c1ccccc1[!H] & 29 & 13098 13390  \\ Eralphapot3 & a1aaaaa1[!H] & 30 & 13941\\ 14214\\  Eralpha1 & c1ccccc1O & 6 & 5488 \\   Eralpha2 & c1ccccc1N & 14 & 4914\\   Eralpha3 & c1ccccc1[!H] & 22 & 12839\\ 13063\\  Eralpha4 & a1aaaaa1[!H] & 26 & 13754\\ 13986\\  Erbeta1 & c1ccccc1O & 4 & 5101 \\   Erbeta2 & c1ccccc1N & 9 & 4774\\   Erbeta3 & c1ccccc1[!H] & 23 & 12496\\ 12839\\  Erbeta4 & a1aaaaa1[!H] & 24 & 13490\\ 13814\\  Fak1 & c1[c,n]cccn1 & 12 & \\ 4568\\  Fak2 & c1cccc([!H])c1 & 27 &\\ & 13250\\  Fak3 & a1a([!H])aaaa1 & 29 &\\ & 14181\\  Fak4 & n1[c,n][c,n]cc1 & 9 &\\ & 3301\\  Fxia1 & a1aaan1 & 17 & 5496 5505  \\ Fxia2 & c1[c,n]cc[c,s]1 & 13 & 3484\\ 3491\\  Fxia3 & c1[c,n]cc([!H])[c,s,o]1 & 18 & 3602\\ 4468\\  Fxia4 & a1aaaa1[!H] & 24 & 7402\\ 7691\\  Hivrt1 & a1aaan1 & 18 & 7437\\ 7455\\  Hivrt2 & c1aacn1 & 17 & 4931\\ 4949\\  Hivrt3 & c1aac([!H])n1 & 16 & 4115\\ 4546\\  Hivrt4 & a1aaaa1[!H] & 18 & 9205\\ 9535\\  Hivrt5 & c1ccccc1[Cl,O] & 15 & 5979\\   Hsp901 & c1ccccc1O & 22 & 5582 \\   Hsp902 & c1ccccc1[!H] & 27 & 12565\\ 12915\\  Hsp903 & a1aaaaa1[!H] & 27 & 13541\\ 13889\\  Pka1 & c1[c,n]cccn1 & 25 & 5580 5582  \\ Pka2 & a1ncccn1 & 15 & 3229\\ 3231\\  Pka3 & a1([!H])ncccn1 & 4 & 1522\\ 2118\\  Pka4 & c1[c,n]c([!H])ccn1 & 23 & 3172\\ 4970\\  Pka5 & a1aa([!H])aaa1 & 27 & 13695\\ 13985\\  Rho1 & c1[c,n]cccn1 & 18 & \\ 4593\\  Rho2 & 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.  }