@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3212 @attribute molecule_id {CHEMBL191979,CHEMBL297521,CHEMBL299632,CHEMBL440565,CHEMBL48212,CHEMBL48348,CHEMBL50340,CHEMBL51057,CHEMBL51080,CHEMBL51180,CHEMBL51260,CHEMBL52683,CHEMBL53971,CHEMBL67386} @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute ATSC1s numeric @attribute CIC2 numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA.ri. numeric @attribute IC1 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_AEA.ri. numeric @attribute SpDiam_EA.ri. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMax_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute Eig01_AEA.dm. numeric @attribute GATS4v numeric @attribute MATS4v numeric @attribute SpDiam_AEA.dm. numeric @attribute SpMax_AEA.dm. numeric @attribute MATS3v numeric @attribute Hy numeric @attribute MATS1e numeric @attribute Chi1_EA.dm. numeric @attribute GATS4p numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA.ri. numeric @attribute SM02_EA.ri. numeric @attribute SpAD_EA.ri. numeric @attribute GATS1e numeric @attribute GATS1s numeric @attribute GATS8p numeric @attribute MATS1s numeric @attribute MATS1v numeric @attribute MATS2p numeric @attribute MATS3p numeric @attribute MATS8p numeric @attribute Psi_i_1 numeric @attribute SpMax7_Bh.v. numeric @attribute GATS3p numeric @attribute AAC numeric @attribute AECC 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 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 ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 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.006 numeric @attribute C.008 numeric @attribute C.009 numeric @attribute C.011 numeric @attribute C.012 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.019 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.036 numeric @attribute C.039 numeric @attribute C.040 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL 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_DA 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_AL numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AL 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.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.086 numeric @attribute cRo5 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr08 numeric @attribute D.Dtr10 numeric @attribute D.Dtr11 numeric @attribute D.Dtr12 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.ed. 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.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.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.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_EA numeric @attribute Eig12_EA.bo. numeric @attribute Eig12_EA.ed. 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 pXC50 numeric @data {1 6.226,2 38.763,3 10.34,4 1.991,5 4.304,6 3.255,7 3.026,8 8.169,9 8.962,10 10.238,11 11.219,12 12.407,13 13.475,14 14.632,15 15.743,16 16.892,17 18.025,18 5.399,19 5.255,20 4.304,21 3.255,22 5.586,23 3.853,24 1.053,25 -0.123,26 5.853,27 3.853,28 -0.023,29 -0.48,30 -0.036,31 27.44,32 1.065,33 2.118,34 1.115,35 4.685,36 57.782,37 0.773,38 0.73,39 1.004,40 -0.087,41 0.057,42 -0.114,43 -0.074,44 -0.018,45 20.818,46 2.877,47 1.035,48 1.284,49 12.235,50 130.906,51 7.974,52 0.615,53 4.143,54 4.221,55 3.781,56 3.804,57 5.294,58 3.784,59 4.65,60 4.75,61 4.173,62 4.217,63 5.791,64 4.182,65 4.963,66 5.117,67 4.302,68 4.379,69 6.016,70 4.329,71 5.048,72 5.201,73 4.297,74 4.378,75 6.238,76 4.323,77 5.084,78 5.261,79 4.25,80 4.379,81 6.191,82 4.314,83 5.037,84 5.218,85 4.229,86 4.326,87 6.208,88 4.258,89 4.924,90 5.104,91 4.115,92 4.252,93 6.035,94 4.181,95 4.882,96 5.069,97 3.98,98 4.17,99 5.96,100 4.086,101 0.021,102 0.61,103 9.555,104 5.161,105 5.999,106 0.132,107 1.037,108 17.074,109 8.786,110 22.388,111 10.404,112 0.136,113 1.483,114 27.216,115 12.639,116 33.448,117 15.293,118 0.477,119 1.609,120 31.031,121 13.539,122 78.889,123 15.67,124 0.372,125 1.702,126 33.934,127 14.398,128 73.15,129 16.821,130 0.587,131 1.629,132 32.668,133 13.841,134 79.83,135 16.828,136 0.226,137 1.455,138 28.225,139 12.413,140 52.761,141 15.045,142 0.299,143 1.402,144 27.923,145 11.923,146 57.192,147 14.234,148 5,149 56,150 0.206,151 0.486,152 0.613,153 0.775,154 0.867,155 0.881,156 3.561,157 0.873,158 -6.25,159 -6.09,160 -5.66,161 53.6,163 1,164 1,167 1,172 1,173 1,174 17,175 5,176 2,179 1,180 24,181 1,182 8,183 2,184 30,186 9,188 2,189 27,191 11,192 2,193 4,194 27,196 5,198 2,199 27,200 2,201 9,202 1,203 3,204 26,205 9,206 3,207 23,208 8,209 2,210 23,211 4,212 1,213 24,214 2072,215 23.637,216 23.637,217 23.637,218 23.637,219 23.637,220 20.406,221 19.828,222 13.91,223 23.862,224 19.286,225 19.286,226 19.286,227 19.286,228 19.286,229 14.509,230 6.611,231 19.684,232 4.523,233 2.781,234 0.978,235 0.406,236 0.321,237 4.285,239 1,240 941,241 2.449,243 513.726,246 270.638,249 1.779,250 33.328,251 0.75,252 0.67,253 0.83,254 0.5,255 0.5,256 0.83,257 1,258 0.73,259 72,260 416,261 4.628,262 7.013,263 3.325,264 4.187,265 1.674,266 11.946,267 4.323,268 3.457,269 6.506,270 3.989,271 3.024,272 3.916,273 1.151,274 10.179,275 2.926,276 4.237,277 3.054,278 6.18,279 3.866,280 2.87,281 3.853,282 0.68,283 9.157,284 2.85,285 3.926,286 2.987,287 6.068,288 3.618,289 2.633,290 3.381,292 8.773,293 2.59,294 3.868,295 2.814,296 5.952,297 3.455,298 2.468,299 3.331,301 8.231,302 2.43,303 3.366,304 2.642,305 5.181,306 2.98,307 2.037,308 2.682,309 6.015,310 1.914,311 3.348,312 2.219,313 5.057,314 2.91,315 1.918,316 2.511,317 5.524,318 1.885,319 3.109,320 1.977,321 4.628,322 2.789,323 1.816,324 2.273,325 4.943,326 1.76,327 2.949,328 1.697,329 4.335,330 2.534,331 1.567,332 2.111,333 4.064,334 1.504,335 2.869,336 1.591,337 3.951,338 2.4,339 1.411,340 2.022,341 3.065,342 1.39,343 2.75,344 1.408,345 3.778,346 2.336,347 1.345,348 1.841,349 2.992,350 1.331,351 2.609,352 1.331,353 3.629,354 1.116,355 1.61,356 2.804,357 2.5,358 1.108,359 3.582,360 2.035,361 1.043,362 1.5,363 2.621,364 1.029,365 2.5,366 1.033,367 3.488,368 2,369 1,370 1.5,371 2.275,372 1,373 2.491,374 1,375 3.414,376 2,377 1,378 1.472,379 2.207,380 1,381 16.333,382 0.48,383 7.398} {0 CHEMBL297521,1 8.281,2 68.573,3 13.857,4 2.169,5 5.127,6 3.985,7 2.873,8 8.704,9 9.871,10 11.237,11 12.541,12 13.904,13 15.256,14 16.627,15 17.997,16 19.373,17 20.751,18 6.185,19 5.985,20 5.127,21 3.985,22 6.189,23 4.697,24 0.928,25 0.054,26 6.697,27 4.697,28 -0.042,29 -0.486,30 -0.013,31 17.109,32 0.986,33 2.013,34 1.01,35 4.67,36 54.897,37 0.718,38 0.706,39 0.787,40 -0.067,41 0.032,42 -0.005,43 -0.085,44 0.124,45 22.209,46 3.152,47 1.139,48 1.208,49 16.543,50 142.895,51 5.96,52 0.162,53 4.422,54 4.552,55 3.774,56 3.962,57 5.339,58 3.884,59 5.024,60 5.23,61 4.127,62 4.377,63 5.845,64 4.266,65 5.38,66 5.61,67 4.316,68 4.574,69 6.334,70 4.445,71 5.514,72 5.788,73 4.26,74 4.587,75 6.448,76 4.431,77 5.494,78 5.761,79 4.152,80 4.534,81 6.492,82 4.369,83 5.427,84 5.718,85 3.997,86 4.489,87 6.174,88 4.296,89 5.363,90 5.631,91 3.869,92 4.466,93 6.148,94 4.253,95 5.44,96 5.77,97 3.76,98 4.389,99 6.09,100 4.148,101 0.084,102 1.043,103 19.913,104 9.044,105 12.265,106 0.183,107 1.728,108 35.325,109 15.039,110 26.978,111 20.842,112 0.681,113 2.266,114 50.744,115 19.608,116 80.267,117 27.453,118 0.566,119 2.44,120 56.414,121 21.164,122 103.402,123 30.053,124 0.801,125 2.335,126 55.892,127 20.155,128 148.746,129 28.536,130 0.464,131 2.227,132 50.695,133 19.483,134 66.727,135 27.845,136 0.378,137 2.165,138 47.841,139 18.994,140 62.141,141 27.06,142 0.449,143 2.15,144 49.885,145 18.982,146 66.033,147 27.626,148 97,149 54,150 0.187,151 0.444,152 0.644,153 0.742,154 0.806,155 0.834,156 3.588,157 1.116,158 -5.95,159 -5.8,160 -5.4,161 38.3,162 6,163 9,164 3,167 1,169 2,171 1,172 1,174 4,175 2,178 2,180 24,182 3,183 1,184 27,185 2,186 8,187 1,188 1,189 22,191 9,192 1,193 4,194 21,195 1,196 8,197 1,198 3,199 22,201 4,203 3,204 27,205 4,206 2,207 21,208 3,209 2,210 20,211 4,212 1,213 18,214 2498,215 22.622,216 22.622,217 22.622,218 22.622,219 22.622,220 21.479,221 14.859,222 13.204,223 22.697,224 18.149,225 18.149,226 18.149,227 18.149,228 18.149,229 16.305,230 6.206,231 18.3,232 5.132,233 3.467,234 1.537,235 1.121,236 0.939,237 4.255,239 1,240 1215,241 5.745,242 54.431,243 220.311,244 120.124,246 186.29,247 200.445,249 2.465,250 41.626,251 0.75,252 0.5,253 0.83,254 1,255 1,256 0.83,257 0.5,258 0.77,259 74,260 579,261 5.222,262 9.013,263 4.171,264 4.423,265 1.682,266 19.215,267 4.213,268 3.637,269 6.881,270 3.873,271 2.874,272 3.7,273 1.413,274 10.398,275 2.863,276 3.91,277 3.271,278 6.564,279 3.673,280 2.67,281 3.136,282 0.765,283 9.947,284 2.674,285 3.726,286 2.881,287 5.498,288 3.452,289 2.451,290 2.964,291 0.68,292 6.611,293 2.453,294 3.437,295 2.449,296 5.084,297 3.381,298 2.379,299 2.437,300 0.591,301 6.2,302 2.382,303 3.322,304 2.394,305 5.006,306 3.289,307 2.288,308 2.323,309 5.973,310 2.288,311 3.173,312 2.303,313 4.929,314 3.171,315 2.171,316 2.22,317 5.134,318 2.171,319 3.034,320 2.255,321 4.641,322 2.729,323 1.751,324 2.173,325 5.046,326 1.701,327 2.86,328 2.171,329 4.574,330 2.527,331 1.52,332 1.906,333 3.409,334 1.525,335 2.526,336 1.472,337 4.323,338 2.299,339 1.3,340 1.497,341 3.119,342 1.298,343 2.367,344 1.35,345 4,346 2.128,347 1.136,348 1.299,349 2.716,350 1.124,351 2.31,352 1.305,353 3.59,354 1.016,355 1.101,356 2.184,357 2.094,358 1.259,359 3.53,360 1.802,361 0.797,362 1.059,363 1.924,364 0.798,365 1.837,366 1.075,367 3.384,368 1.788,369 0.725,370 0.814,371 1.658,372 0.762,373 1.646,374 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