@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4464

@attribute molecule_id {CHEMBL274185,CHEMBL298742,CHEMBL299148,CHEMBL299338,CHEMBL299525,CHEMBL299732,CHEMBL300293,CHEMBL300506,CHEMBL301542,CHEMBL33780,CHEMBL49993,CHEMBL50131,CHEMBL50132,CHEMBL50359,CHEMBL50427,CHEMBL50528,CHEMBL50855,CHEMBL51000,CHEMBL51062,CHEMBL51087,CHEMBL51088,CHEMBL51615,CHEMBL51768,CHEMBL51827,CHEMBL52006,CHEMBL52911,CHEMBL53397,CHEMBL53590,CHEMBL53613,CHEMBL53728,CHEMBL53942,CHEMBL54032,CHEMBL54217}
@attribute H. numeric
@attribute GNar numeric
@attribute PDI numeric
@attribute X0A numeric
@attribute GATS1v numeric
@attribute MATS1m numeric
@attribute SaaaC numeric
@attribute AMW numeric
@attribute GATS1m numeric
@attribute Mv numeric
@attribute Eig02_AEA.dm. numeric
@attribute GATS7i numeric
@attribute Mp numeric
@attribute P_VSA_LogP_7 numeric
@attribute BIC0 numeric
@attribute SIC0 numeric
@attribute AAC numeric
@attribute IC0 numeric
@attribute GATS3e numeric
@attribute ATSC1m numeric
@attribute ATSC1s numeric
@attribute TIC3 numeric
@attribute ATSC2v numeric
@attribute ATSC1v numeric
@attribute nH numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_p_1 numeric
@attribute P_VSA_s_2 numeric
@attribute P_VSA_v_1 numeric
@attribute ATSC2p numeric
@attribute ATSC8m numeric
@attribute Eta_epsi_A numeric
@attribute CATS2D_04_AL numeric
@attribute N.071 numeric
@attribute nArNR2 numeric
@attribute SsssN numeric
@attribute GATS1p numeric
@attribute TIC4 numeric
@attribute TIC5 numeric
@attribute DBI numeric
@attribute P_VSA_MR_1 numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute AMR numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p numeric
@attribute ATS1s numeric
@attribute ATS1v numeric
@attribute ATS2e numeric
@attribute ATS2i numeric
@attribute ATS2m numeric
@attribute ATS2p numeric
@attribute ATS2s numeric
@attribute ATS2v numeric
@attribute ATS3e numeric
@attribute ATS3i numeric
@attribute ATS3m numeric
@attribute ATS3p numeric
@attribute ATS3s numeric
@attribute ATS3v numeric
@attribute ATS4e numeric
@attribute ATS4i numeric
@attribute ATS4m numeric
@attribute ATS4p numeric
@attribute ATS4s numeric
@attribute ATS4v numeric
@attribute ATS5e numeric
@attribute ATS5i numeric
@attribute ATS5m numeric
@attribute ATS5p numeric
@attribute ATS5s numeric
@attribute ATS5v numeric
@attribute ATS6e numeric
@attribute ATS6i numeric
@attribute ATS6m numeric
@attribute ATS6p numeric
@attribute ATS6s numeric
@attribute ATS6v numeric
@attribute ATS7e numeric
@attribute ATS7i numeric
@attribute ATS7m numeric
@attribute ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1p numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2s numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_LL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute Chi1_EA.ri. numeric
@attribute CIC0 numeric
@attribute CIC1 numeric
@attribute CIC2 numeric
@attribute CIC3 numeric
@attribute CIC4 numeric
@attribute CIC5 numeric
@attribute CID numeric
@attribute Cl.089 numeric
@attribute cRo5 numeric
@attribute CSI numeric
@attribute D.Dtr05 numeric
@attribute D.Dtr06 numeric
@attribute D.Dtr09 numeric
@attribute DECC numeric
@attribute DELS numeric
@attribute DLS_01 numeric
@attribute DLS_02 numeric
@attribute DLS_03 numeric
@attribute DLS_04 numeric
@attribute DLS_05 numeric
@attribute DLS_06 numeric
@attribute DLS_07 numeric
@attribute DLS_cons numeric
@attribute Dz numeric
@attribute ECC numeric
@attribute Eig01_AEA.bo. numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_AEA.ed. numeric
@attribute Eig01_AEA.ri. numeric
@attribute Eig01_EA numeric
@attribute Eig01_EA.bo. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig01_EA.ed. numeric
@attribute Eig01_EA.ri. numeric
@attribute Eig02_AEA.bo. numeric
@attribute Eig02_AEA.ed. numeric
@attribute Eig02_AEA.ri. numeric
@attribute Eig02_EA numeric
@attribute Eig02_EA.bo. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig02_EA.ed. numeric
@attribute Eig02_EA.ri. numeric
@attribute Eig03_AEA.bo. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_AEA.ed. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA numeric
@attribute Eig03_EA.bo. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eig03_EA.ed. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_AEA.dm. numeric
@attribute Eig04_AEA.ed. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.dm. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.bo. numeric
@attribute Eig05_AEA.dm. numeric
@attribute Eig05_AEA.ed. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig05_EA numeric
@attribute Eig05_EA.bo. numeric
@attribute Eig05_EA.dm. numeric
@attribute Eig05_EA.ed. numeric
@attribute Eig05_EA.ri. numeric
@attribute Eig06_AEA.bo. numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig06_EA numeric
@attribute Eig06_EA.bo. numeric
@attribute Eig06_EA.dm. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig06_EA.ri. numeric
@attribute Eig07_AEA.bo. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_AEA.ri. numeric
@attribute Eig07_EA numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.dm. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig07_EA.ri. numeric
@attribute Eig08_AEA.bo. numeric
@attribute Eig08_AEA.dm. numeric
@attribute Eig08_AEA.ed. numeric
@attribute Eig08_AEA.ri. numeric
@attribute Eig08_EA numeric
@attribute Eig08_EA.bo. numeric
@attribute Eig08_EA.dm. numeric
@attribute Eig08_EA.ed. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig09_AEA.bo. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig09_AEA.ed. numeric
@attribute Eig09_AEA.ri. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.bo. numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig09_EA.ri. numeric
@attribute Eig10_AEA.bo. numeric
@attribute Eig10_AEA.dm. numeric
@attribute Eig10_AEA.ed. numeric
@attribute Eig10_AEA.ri. numeric
@attribute Eig10_EA numeric
@attribute Eig10_EA.bo. numeric
@attribute Eig10_EA.ed. numeric
@attribute Eig10_EA.ri. numeric
@attribute Eig11_AEA.bo. numeric
@attribute Eig11_AEA.dm. numeric
@attribute Eig11_AEA.ed. numeric
@attribute Eig11_AEA.ri. numeric
@attribute Eig11_EA numeric
@attribute Eig11_EA.bo. numeric
@attribute Eig11_EA.ed. numeric
@attribute Eig11_EA.ri. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_AEA.ri. numeric
@attribute Eig12_EA numeric
@attribute Eig12_EA.bo. numeric
@attribute Eig12_EA.ed. numeric
@attribute Eig12_EA.ri. numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.dm. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig13_AEA.ri. numeric
@attribute Eig13_EA numeric
@attribute Eig13_EA.bo. numeric
@attribute Eig13_EA.ed. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_AEA.ri. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig14_EA.ed. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_AEA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_AEA.ed. numeric
@attribute Eig15_AEA.ri. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute Eig15_EA.ri. numeric
@attribute Eta_alpha numeric
@attribute Eta_alpha_A numeric
@attribute Eta_B numeric
@attribute Eta_B_A numeric
@attribute Eta_beta numeric
@attribute Eta_beta_A numeric
@attribute Eta_betaP numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS numeric
@attribute Eta_betaS_A numeric
@attribute Eta_C numeric
@attribute Eta_C_A numeric
@attribute Eta_epsi numeric
@attribute Eta_F numeric
@attribute Eta_F_A numeric
@attribute Eta_FL numeric
@attribute Eta_FL_A numeric
@attribute Eta_L numeric
@attribute Eta_L_A numeric
@attribute Eta_sh_p numeric
@attribute Eta_sh_x numeric
@attribute Eta_sh_y numeric
@attribute F.084 numeric
@attribute GATS1e numeric
@attribute GATS1i numeric
@attribute GATS1s numeric
@attribute GATS2e numeric
@attribute GATS2i numeric
@attribute GATS2m numeric
@attribute GATS2p numeric
@attribute GATS2s numeric
@attribute GATS2v numeric
@attribute GATS3i numeric
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS3s numeric
@attribute GATS3v numeric
@attribute GATS4e numeric
@attribute GATS4i numeric
@attribute GATS4m numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute GATS4v numeric
@attribute GATS5e numeric
@attribute GATS5i numeric
@attribute GATS5m numeric
@attribute GATS5p numeric
@attribute GATS5s numeric
@attribute GATS5v numeric
@attribute GATS6e numeric
@attribute GATS6i numeric
@attribute GATS6m numeric
@attribute GATS6p numeric
@attribute GATS6s numeric
@attribute GATS6v numeric
@attribute GATS7e numeric
@attribute GATS7m numeric
@attribute GATS7p numeric
@attribute GATS7s numeric
@attribute GATS7v numeric
@attribute GATS8e numeric
@attribute GATS8i numeric
@attribute GATS8m numeric
@attribute GATS8p numeric
@attribute GATS8s numeric
@attribute GATS8v numeric
@attribute pXC50 numeric

@data
{1 48.8,2 2.062,3 0.975,4 0.704,5 1.009,6 0.052,8 7.205,9 0.807,10 0.619,11 3.693,12 0.918,13 0.664,14 479.521,15 0.232,16 0.241,17 1.53,18 1.53,19 0.852,20 18.162,21 9.054,22 429.055,23 18.556,24 10.712,25 40,26 447.302,27 447.302,28 477.222,29 447.302,30 447.302,31 13.881,32 60.844,33 0.564,34 11,37 1.757,38 1.034,39 460.564,40 472.564,41 4.796,42 406.595,43 16.333,44 9.735,45 94.772,46 169.031,47 0.511,48 4.464,49 4.593,50 4.02,51 4.042,52 5.514,53 3.982,54 5.011,55 5.198,56 4.348,57 4.414,58 6.035,59 4.317,60 5.298,61 5.548,62 4.387,63 4.521,64 6.254,65 4.395,66 5.319,67 5.571,68 4.39,69 4.492,70 6.382,71 4.378,72 5.33,73 5.579,74 4.443,75 4.545,76 6.362,77 4.417,78 5.337,79 5.573,80 4.416,81 4.602,82 6.253,83 4.455,84 5.395,85 5.638,86 4.361,87 4.629,88 6.368,89 4.462,90 5.444,91 5.712,92 4.276,93 4.604,94 6.291,95 4.424,96 0.041,97 1.296,98 8.217,99 0.307,100 2.1,101 35.954,102 32.828,103 0.434,104 2.589,105 50.781,106 18.297,107 63.691,108 24.286,109 0.705,110 2.683,111 51.893,112 17.064,113 113.743,114 22.96,115 0.788,116 2.538,117 53.293,118 17.554,119 109.645,120 23.811,121 0.5,122 2.595,123 56.158,124 19.318,125 66.405,126 25.075,127 0.683,128 2.75,129 57.003,130 21.095,131 109.913,132 27.498,133 0.591,134 2.779,135 21.988,136 82.755,137 29.233,138 23,139 58,140 0.508,141 0.659,142 0.792,143 0.85,144 0.872,145 3.764,146 1.059,147 -7.61,148 -7.38,149 -6.81,150 41.5,151 1,152 8,156 3,157 13,158 2,159 3,161 1,164 1,167 1,170 1,172 20,173 1,174 4,175 3,176 3,177 19,179 5,180 5,181 12,184 7,185 10,187 11,188 6,189 15,191 6,193 4,194 21,196 2,198 1,199 25,200 1,201 2,202 1,204 2,205 24,207 1,210 1,211 20,212 4062,213 28.871,214 28.871,215 28.871,216 28.871,217 28.871,218 25.942,219 16.841,220 18.083,221 29.464,222 22.263,223 22.263,224 22.263,225 22.263,226 22.263,227 17.934,228 16.753,229 8.671,230 23.28,231 4.827,232 3.004,233 2.005,234 1.125,235 0.741,236 0.595,237 4.46,240 1458,241 145.11,242 514.759,244 2.254,245 42.226,246 0.5,247 0.5,248 0.5,249 0.8,250 1,251 0.5,252 0.5,253 0.61,254 90,255 686,256 4.533,257 4.411,258 6.724,259 4.136,260 3.172,261 4.25,262 2.95,263 10.996,264 3.066,265 4.257,266 6.161,267 3.873,268 2.924,269 3.89,270 1.701,271 9.06,272 2.763,273 3.909,274 3.187,275 5.919,276 3.631,277 2.686,278 3.473,279 0.563,280 8.226,281 2.527,282 3.905,283 3.141,284 5.763,285 3.506,286 2.511,287 3.209,288 0.075,289 7.796,290 2.498,291 3.716,292 2.694,293 5.302,294 3.235,295 2.35,296 3.103,298 6.819,299 2.088,300 3.437,301 2.679,302 4.964,303 3.039,304 2.114,305 2.725,307 5.831,308 1.942,309 3.22,310 2.511,311 4.606,312 2.823,313 1.854,314 2.478,316 4.608,317 1.816,318 2.967,319 2.346,320 4.339,321 2.812,322 1.825,323 2.164,325 4.168,326 1.761,327 2.921,328 1.904,329 4.009,330 2.69,331 1.717,332 1.996,333 3.594,334 1.644,335 2.817,336 1.872,337 4,338 2.515,339 1.535,340 1.855,341 3.532,342 1.509,343 2.79,344 1.802,345 3.821,346 2.491,347 1.524,348 1.804,349 3.42,350 1.457,351 2.61,352 1.551,353 3.702,354 2.334,355 1.351,356 1.612,357 3.125,358 1.314,359 2.519,360 1.524,361 3.494,362 2.213,363 1.247,364 1.512,365 2.644,366 1.193,367 2.5,368 1.243,369 3.437,370 2.043,371 1.067,372 1.5,373 2.414,374 1.033,375 2.5,376 1.156,377 3.337,378 2,379 1,380 1.5,381 2.136,382 1,383 20.338,384 0.484,385 0.712,386 0.017,387 50,388 1.19,389 24.5,390 0.583,391 25.5,392 0.607,393 44.862,394 1.068,395 46.262,396 39.761,397 0.947,398 9.178,399 0.219,400 11.368,401 0.271,402 0.069,404 0.241,405 2,406 0.616,407 1.11,408 0.518,409 0.561,410 1.119,411 0.976,412 1.186,413 0.505,414 1.112,415 1.016,416 0.934,417 0.995,418 0.797,419 0.938,420 1.055,421 0.934,422 0.961,423 0.894,424 0.933,425 0.898,426 0.849,427 0.742,428 0.978,429 0.848,430 0.749,431 0.868,432 0.933,433 0.878,434 1.249,435 1.091,436 0.855,437 1.021,438 0.847,439 1.159,440 1.1,441 0.865,442 1.113,443 0.816,444 0.894,445 1.064,446 1.07,447 0.866,448 1.063,449 6}
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