@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1921662 @attribute molecule_id {CHEMBL1922846,CHEMBL1922847,CHEMBL1922848,CHEMBL1922849,CHEMBL1922850,CHEMBL1922851,CHEMBL1922852,CHEMBL1922853,CHEMBL1922854,CHEMBL1922855,CHEMBL1922856,CHEMBL1922857,CHEMBL1922858,CHEMBL1922859,CHEMBL1922860,CHEMBL1922861,CHEMBL1922862,CHEMBL1922863,CHEMBL1922864,CHEMBL1922865,CHEMBL1922866,CHEMBL1922867,CHEMBL1922868,CHEMBL1922869,CHEMBL1922870,CHEMBL1922871,CHEMBL1922873,CHEMBL1922879,CHEMBL1922880,CHEMBL1922885,CHEMBL1922888} @attribute RBF numeric @attribute X4Av numeric @attribute X5A numeric @attribute Eta_C_A numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_EA.ed. numeric @attribute AAC numeric @attribute BIC0 numeric @attribute IC0 numeric @attribute JGI6 numeric @attribute JGT numeric @attribute MATS8s numeric @attribute MATS8v numeric @attribute SIC0 numeric @attribute SpMaxA_EA.ed. numeric @attribute PHI numeric @attribute PW3 numeric @attribute MATS8e numeric @attribute Eta_sh_y numeric @attribute ATSC4s numeric @attribute Eig13_EA.bo. numeric @attribute JGI3 numeric @attribute PW2 numeric @attribute DLS_cons numeric @attribute IC1 numeric @attribute Eig12_AEA.bo. numeric @attribute Eig12_AEA.dm. 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 Eta_epsi_A numeric @attribute GATS7m numeric @attribute SM06_AEA.dm. numeric @attribute SM07_AEA.ri. numeric @attribute CIC2 numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute SIC3 numeric @attribute SM07_AEA.dm. numeric @attribute SM08_AEA.ri. numeric @attribute IC3 numeric @attribute ATSC7s numeric @attribute nCsp3 numeric @attribute P_VSA_MR_5 numeric @attribute IC2 numeric @attribute X3Av numeric @attribute X5Av numeric @attribute MATS8m numeric @attribute JGI5 numeric @attribute Eig13_AEA.bo. numeric @attribute BLI numeric @attribute X1Av numeric @attribute BIC1 numeric @attribute SIC1 numeric @attribute S2K numeric @attribute Eta_B_A numeric @attribute SssCH2 numeric @attribute Eta_F_A numeric @attribute Eta_FL_A numeric @attribute Eta_L_A numeric @attribute ATSC5s numeric @attribute MATS3i numeric @attribute SpMAD_EA.ri. numeric @attribute S3K numeric @attribute CATS2D_03_DA numeric @attribute O. numeric @attribute CIC1 numeric @attribute IVDE numeric @attribute JGI7 numeric @attribute MATS2m numeric @attribute Psi_e_A numeric @attribute Psi_i_A numeric @attribute X2Av numeric @attribute Eta_beta_A numeric @attribute Eta_betaP_A numeric @attribute GATS6e numeric @attribute GATS6s numeric @attribute PCD numeric @attribute PCR numeric @attribute X0Av numeric @attribute GATS2m numeric @attribute MATS2v numeric @attribute JGI4 numeric @attribute H.046 numeric @attribute Me numeric @attribute BIC2 numeric @attribute SIC2 numeric @attribute SpMAD_AEA.bo. numeric @attribute C.002 numeric @attribute NssCH2 numeric @attribute P_VSA_LogP_2 numeric @attribute SpMAD_EA.bo. numeric @attribute ATSC1s numeric @attribute Chi0_EA.dm. numeric @attribute Chi1_EA.dm. numeric @attribute Eta_F numeric @attribute Eta_FL numeric @attribute JGI8 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_v_2 numeric @attribute SAacc numeric @attribute SM03_EA.ri. numeric @attribute SM05_EA.ri. numeric @attribute TPSA.NO. numeric @attribute Neoplastic.80 numeric @attribute BIC3 numeric @attribute CIC3 numeric @attribute GATS7e numeric @attribute GATS7s numeric @attribute ATSC6s numeric @attribute DLS_05 numeric @attribute Eig01_EA.ri. numeric @attribute JGI1 numeric @attribute nHAcc numeric @attribute SM06_EA.ri. numeric @attribute SM07_EA.ri. numeric @attribute SM08_EA.ri. numeric @attribute SM09_EA.ri. numeric @attribute SM10_EA.ri. numeric @attribute SM11_EA.ri. numeric @attribute SM12_EA.ri. numeric @attribute SM13_EA.ri. numeric @attribute SM14_EA.ri. numeric @attribute SM15_EA.ri. numeric @attribute SpDiam_EA.ri. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax_EA.ri. numeric @attribute TPSA.Tot. numeric @attribute SpMAD_EA numeric @attribute GATS1v numeric @attribute GATS2v numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.bo. numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute GATS7v numeric @attribute GATS8v numeric @attribute MATS7v numeric @attribute SM05_AEA.dm. numeric @attribute SM06_AEA.ri. numeric @attribute Eta_alpha_A numeric @attribute nCs numeric @attribute MATS7e numeric @attribute MATS7s numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW 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 ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v 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 ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute Br.091 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.003 numeric @attribute C.004 numeric @attribute C.008 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.038 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_PL 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.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.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.086 numeric @attribute CMC.80 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr06 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_02 numeric @attribute DLS_03 numeric @attribute DLS_04 numeric @attribute DLS_06 numeric @attribute DLS_07 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 Eig02_AEA.bo. numeric @attribute Eig02_AEA.dm. 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.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.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.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.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.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.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.dm. 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.dm. numeric @attribute Eig10_EA.ed. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA.dm. numeric @attribute Eig12_AEA.ed. numeric @attribute Eig12_EA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute pXC50 numeric @data {1 0.214,2 0.118,3 0.115,4 0.943,5 1.435,6 3.044,7 1.217,8 0.251,9 1.217,10 0.016,11 0.451,12 -0.061,13 -0.079,14 0.251,15 0.786,16 6.143,17 0.295,18 -0.08,19 0.194,20 39.754,22 0.045,23 0.524,24 0.92,25 2.117,33 0.505,34 1.142,37 1.5,43 0.819,46 3.978,47 22.266,48 8,49 30.323,50 3.358,51 0.162,52 0.078,53 -0.122,54 0.028,56 1.328,57 0.443,58 0.436,59 0.436,60 6.353,61 0.018,62 4.22,63 0.305,64 0.085,65 0.39,66 29.895,67 -0.027,68 1.295,69 4.967,70 1,71 6.9,72 2.741,73 1.495,74 0.01,75 -0.056,76 8,77 2.5,78 0.259,79 0.636,80 0.136,81 0.995,82 0.975,83 0.139,84 1.033,85 0.679,86 1.06,87 -0.158,88 0.03,89 12,90 0.986,91 0.691,92 0.691,93 1.306,94 5,95 5,96 12.673,97 1.399,98 6.214,99 5.162,100 3.893,101 3.357,102 0.932,104 67.828,105 67.828,106 67.828,107 2.565,108 4.802,109 37.3,111 0.819,112 0.88,113 1.293,114 1.262,115 21.758,116 1,117 2.706,118 0.2,119 2,120 6.21,121 6.89,122 8.067,123 8.922,124 10,125 10.932,126 11.965,127 12.932,128 13.945,129 14.927,130 4.596,131 1.363,132 6.443,133 2.706,134 37.3,135 1.296,136 1.438,137 1.313,143 1.014,144 0.921,145 -0.119,148 0.47,149 6,150 -0.154,151 -0.116,152 6.273,153 2.234,154 4.991,155 45.42,156 5.458,158 3.364,159 3.509,160 2.581,161 2.807,162 4.31,163 2.714,164 3.944,165 4.18,166 2.77,167 3.119,168 4.783,169 2.968,170 4.231,171 4.515,172 2.836,173 3.166,174 5.302,175 2.997,176 4.139,177 4.414,178 2.58,179 3.039,180 5.134,181 2.865,182 3.987,183 4.282,184 2.33,185 2.878,186 4.876,187 2.672,188 3.795,189 4.107,190 2.152,191 2.68,192 4.636,193 2.467,194 3.589,195 3.888,196 1.82,197 2.458,198 4.477,199 2.232,200 3.381,201 3.727,202 1.214,203 2.184,204 4.043,205 1.872,206 0.036,207 0.344,208 7.099,209 2.969,210 4.157,211 0.074,212 0.499,213 11.692,214 4.322,215 10.941,216 6.341,217 0.281,218 0.538,219 15.053,220 4.63,221 52.381,222 7.057,223 0.223,224 0.472,225 13.702,226 4.023,227 6.174,228 0.17,229 0.402,230 11.345,231 3.47,232 5.335,233 0.12,234 0.328,235 9.126,236 2.847,237 4.395,238 0.117,239 0.259,240 7.448,241 2.241,242 3.474,243 0.082,244 0.197,245 5.552,246 1.751,247 14.067,248 2.751,249 29,250 11,251 0.862,252 0.862,253 2.513,254 -2.8,255 -2.81,256 -2.72,258 31,259 2,262 1,266 1,270 5,271 1,272 1,273 3,276 2,279 2,280 3,282 2,283 1,284 3,286 1,288 1,289 2,291 1,294 1,295 2,299 1,300 2,304 1,310 108,311 7.19,312 7.19,313 7.19,314 7.19,315 7.19,316 7.06,317 4.613,318 7.192,319 4.794,320 4.794,321 4.794,322 4.794,323 4.794,324 4.514,325 2.044,326 4.803,327 3.641,328 0.673,329 0.673,330 3.067,333 120,334 3.317,336 1.025,337 14.346,339 1,340 0.83,341 0.83,342 0.8,343 1,344 1,345 24,346 69,347 3.891,348 3.77,349 5.861,350 3.704,351 2.698,352 3.059,353 2.26,354 7.859,355 2.74,356 2.2,357 4.036,358 2.718,359 1.726,360 1.737,361 0.28,362 3.636,363 1.708,364 2.47,365 1.691,366 3.441,367 2.318,368 1.307,369 1.414,370 2.582,371 1.311,372 1.736,373 0.998,374 2.635,375 1.639,376 0.618,377 0.653,378 0.972,379 0.629,380 1.194,381 0.467,382 2,383 1.085,384 0.128,385 0.132,386 0.17,387 0.121,388 0.761,389 0.149,390 1.509,391 0.618,392 -0.416,393 -0.456,394 -0.666,395 -0.426,397 -0.495,398 1.246,399 -0.178,400 -1.221,401 -1.329,402 -2.434,403 -1.214,404 -0.331,405 -1.003,406 0.726,407 -0.408,408 -1.331,409 -1.414,410 -2.833,411 -1.29,412 -0.572,413 -1.424,414 0.456,415 -0.602,416 -1.618,417 -1.862,418 -0.945,419 -3.68,420 -1.655,421 -0.891,422 -1.733,423 0.09,424 -0.894,425 -1.892,426 -1.935,427 -1.595,428 -5.607,429 -1.89,437 4.301} {0 CHEMBL1922847,1 0.226,2 0.124,3 0.118,4 0.989,5 1.415,6 2.976,7 1.198,8 0.24,9 1.198,10 0.02,11 0.426,12 -0.123,13 -0.119,14 0.24,15 0.714,16 7.073,17 0.291,18 -0.165,19 0.176,20 37.967,22 0.042,23 0.522,24 0.92,25 2.052,33 0.498,34 0.943,37 1.71,43 0.803,46 4.015,47 20.088,48 9,49 32.858,50 3.29,51 0.17,52 0.087,53 -0.18,54 0.024,56 1.344,57 0.448,58 0.41,59 0.41,60 7.294,61 0.016,62 5.518,63 0.289,64 0.078,65 0.399,66 28.297,67 -0.023,68 1.278,69 5.923,70 1,71 6.3,72 2.948,73 1.459,74 0.012,75 -0.074,76 7.917,77 2.417,78 0.267,79 0.625,80 0.125,81 0.919,82 0.927,83 0.13,84 1.03,85 0.681,86 1.093,87 -0.168,88 0.027,89 14,90 0.984,91 0.658,92 0.658,93 1.295,94 6,95 6,96 15.207,97 1.371,98 5.868,99 5.162,100 3.893,101 3.467,102 0.932,103 0.008,104 67.828,105 67.828,106 67.828,107 2.565,108 4.802,109 37.3,111 0.803,112 0.985,113 1.085,114 1.068,115 19.277,116 1,117 2.706,118 0.182,119 2,120 6.249,121 6.89,122 8.089,123 8.922,124 10.011,125 10.932,126 11.971,127 12.932,128 13.948,129 14.927,130 4.619,131 1.349,132 6.443,133 2.706,134 37.3,135 1.278,136 1.444,137 1.333,138 -1.8,139 -1.914,140 -1.951,141 -5.608,142 -1.913,143 0.9,144 1.013,145 0.006,146 -1.914,147 -5.608,148 0.472,149 7,150 -0.055,151 -0.037,152 7.083,153 2.69,154 7.238,155 50.021,156 5.384,158 3.459,159 3.606,160 2.665,161 2.908,162 4.379,163 2.811,164 4.048,165 4.286,166 2.851,167 3.231,168 4.858,169 3.071,170 4.345,171 4.635,172 2.913,173 3.289,174 5.362,175 3.107,176 4.264,177 4.546,178 2.679,179 3.178,180 5.204,181 2.989,182 4.13,183 4.432,184 2.455,185 3.039,186 4.965,187 2.822,188 3.966,189 4.282,190 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