David Koes edited begin_table_begin_tabular_c__.tex  over 8 years ago

Commit id: a54b57e16a363e3a7f11807839a0f737a75b0bcb

deletions | additions      

       

\begin{tabular}{ c c c c }  Fragment & SMARTSExpression & Actives & Decoys \\   \hline  Cathg$_1$ CathG$_1$  & c1ccccc1[R] & 15 & 8186 \\ Cathg$_2$ CathG$_2$  & c1ccccc1[C] & 21 & 7600 \\ Cathg$_3$ CathG$_3$  & c1ccccc1[!H] & 24 & 12847 \\ Cathg$_4$ CathG$_4$  & a1aaaaa1[!H] & 24 & 13897 \\ ER$\alpha$ agonist$_1$ & c1ccccc1O & 15 & 5252 \\   ER$\alpha$ agonist$_2$ & c1ccccc1[!H] & 29 & 13390 \\   ER$\alpha$ agonist$_3$ & a1aaaaa1[!H] & 30 & 14214 \\  

ER$\alpha_3$ & c1ccccc1[!H] & 22 & 13063 \\   ER$\alpha_4$ & a1aaaaa1[!H] & 26 & 13986 \\   ER$\beta_1$ & c1ccccc1O & 4 & 5101 \\   Erbeta$_2$ ER$\beta_2$  & c1ccccc1N & 9 & 4774 \\ Erbeta$_3$ ER$\beta_3$  & c1ccccc1[!H] & 23 & 12839 \\ Erbeta$_4$ ER$\beta_4$  & a1aaaaa1[!H] & 24 & 13814 \\ Fak$_1$ FAK$_1$  & c1[c,n]cccn1 & 12 & 4568 \\ Fak$_2$ FAK$_2$  & c1cccc([!H])c1 & 27 & 13250 \\ Fak$_3$ FAK$_3$  & a1a([!H])aaaa1 & 29 & 14181 \\ Fak$_4$ FAK$_4$  & n1[c,n][c,n]cc1 & 9 & 3301 \\ Fxia$_1$ & a1aaan1 & 17 & 5505 \\   Fxia$_2$ FXIa$_2$  & c1[c,n]cc[c,s]1 & 13 & 3491 \\ Fxia$_3$ FXIa$_3$  & c1[c,n]cc([!H])[c,s,o]1 & 18 & 4468 \\ Fxia$_4$ FXIa$_4$  & a1aaaa1[!H] & 24 & 7691 \\ Hivrt$_1$ HIVrt$_1$  & a1aaan1 & 18 & 7455 \\ Hivrt$_2$ HIVrt$_2$  & c1aacn1 & 17 & 4949 \\ Hivrt$_3$ HIVrt$_3$  & c1aac([!H])n1 & 16 & 4546 \\ Hivrt$_4$ HIVrt$_4$  & a1aaaa1[!H] & 18 & 9535 \\ Hivrt$_5$ HIVrt$_5$  & c1ccccc1[Cl,O] & 15 & 5979 \\ Hsp90$_1$ HSP90$_1$  & c1ccccc1O & 22 & 5582 \\ Hsp90$_2$ HSP90$_2$  & c1ccccc1[!H] & 29 & 12915 \\ Hsp90$_3$ HSP90$_3$  & a1aaaaa1[!H] & 29 & 13889 \\ Pka$_1$ PKA$_1$  & c1[c,n]cccn1 & 25 & 5582 \\ Pka$_2$ PKA$_2$  & a1ncccn1 & 15 & 3231 \\ Pka$_3$ PKA$_3$  & a1([!H])ncccn1 & 14 & 2118 \\ Pka$_4$ PKA$_4$  & c1[c,n]c([!H])ccn1 & 24 & 4970 \\ Pka$_5$ PKA$_5$  & a1aa([!H])aaa1 & 29 & 13985 \\ Rho$_1$ & c1[c,n]cccn1 & 18 & 4593 \\   Rho$_2$ & c1[c,n]c([!H])ccn1 & 14 & 4007 \\   \end{tabular}