@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2934 @attribute molecule_id {CHEMBL25754,CHEMBL25759,CHEMBL25784,CHEMBL25846,CHEMBL26075,CHEMBL26145,CHEMBL26383,CHEMBL26410,CHEMBL26411,CHEMBL26466,CHEMBL265738,CHEMBL26665,CHEMBL26721,CHEMBL26725,CHEMBL27139,CHEMBL27364,CHEMBL27660,CHEMBL27695,CHEMBL27751,CHEMBL27884,CHEMBL280283,CHEMBL28034,CHEMBL280971,CHEMBL281732,CHEMBL281733,CHEMBL28230,CHEMBL282516,CHEMBL282564,CHEMBL282785,CHEMBL282860,CHEMBL283407,CHEMBL283471,CHEMBL28348,CHEMBL283897,CHEMBL285612,CHEMBL286683,CHEMBL413091,CHEMBL431487,CHEMBL431505} @attribute ATSC1s numeric @attribute ATS3m numeric @attribute ATS3s numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6p numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8s numeric @attribute ATSC2s numeric @attribute ATSC3s numeric @attribute ATSC4s numeric @attribute ATSC5i numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8m numeric @attribute ATSC8s numeric @attribute DBI numeric @attribute D.Dtr09 numeric @attribute DELS 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.ed. numeric @attribute Eig03_EA.ri. numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_EA.bo. numeric @attribute Eig04_EA.ed. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig10_EA numeric @attribute Eig11_AEA.dm. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig12_AEA.ed. numeric @attribute Eta_B numeric @attribute GATS1e numeric @attribute GGI1 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute MATS5p numeric @attribute MAXDN numeric @attribute MAXDP numeric @attribute MPC04 numeric @attribute MPC05 numeric @attribute MPC06 numeric @attribute MPC07 numeric @attribute MPC08 numeric @attribute MWC04 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute NdO numeric @attribute O.058 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute Pol numeric @attribute P_VSA_m_3 numeric @attribute RDSQ numeric @attribute SdO numeric @attribute SM02_AEA.ed. numeric @attribute SM02_EA.ed. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_EA numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_EA numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_EA numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_EA numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_EA numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_EA numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_EA numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_EA numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_EA numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SPI numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin7_Bh.p. numeric @attribute SRW08 numeric @attribute SRW10 numeric @attribute SssssC numeric @attribute TIE numeric @attribute TWC numeric @attribute X4sol numeric @attribute ATS3e numeric @attribute ATS3p numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATSC4i numeric @attribute ATSC4v numeric @attribute ATSC5v numeric @attribute BBI numeric @attribute C.004 numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_04_LL numeric @attribute Chi0_EA.dm. numeric @attribute Eig01_AEA.bo. numeric @attribute Eig01_AEA.ed. numeric @attribute Eig01_AEA.ri. numeric @attribute Eig01_EA numeric @attribute Eig01_EA.ed. numeric @attribute Eig01_EA.ri. numeric @attribute Eig04_AEA.bo. numeric @attribute Eig04_AEA.ri. numeric @attribute Eig04_EA.ri. numeric @attribute Eig05_AEA.ed. numeric @attribute Eig06_AEA.ed. numeric @attribute Eig07_AEA.bo. numeric @attribute Eig07_AEA.ed. numeric @attribute Eig07_EA.bo. numeric @attribute Eig10_AEA.ri. numeric @attribute Eig10_EA.ri. numeric @attribute Eig11_EA.ed. numeric @attribute GATS1s numeric @attribute GATS2s numeric @attribute JGI2 numeric @attribute JGI3 numeric @attribute JGI7 numeric @attribute JGT numeric @attribute MATS1s numeric @attribute MPC02 numeric @attribute MPC03 numeric @attribute MPC09 numeric @attribute MPC10 numeric @attribute MWC03 numeric @attribute nCq numeric @attribute nCrq numeric @attribute nDB numeric @attribute nR09 numeric @attribute NssssC numeric @attribute piID numeric @attribute P_VSA_e_5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute Rbrid numeric @attribute SAacc numeric @attribute SM02_EA numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM05_EA.dm. numeric @attribute SM06_AEA.ri. numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM08_EA.bo. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_EA.bo. numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM12_EA.bo. numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM14_EA.bo. numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_EA.ed. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax_AEA.bo. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW09 numeric @attribute TPC numeric @attribute Wap numeric @attribute X3 numeric @attribute X3A numeric @attribute X4 numeric @attribute X4A numeric @attribute X5 numeric @attribute X5A numeric @attribute ZM2 numeric @attribute Eta_alpha_A numeric @attribute Eta_B_A numeric @attribute BLI numeric @attribute C.025 numeric @attribute C.040 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_05_LL numeric @attribute Chi1_EA.dm. numeric @attribute Eig01_EA.bo. numeric @attribute Eig03_EA.dm. numeric @attribute Eig05_EA.ed. numeric @attribute GATS2i numeric @attribute GATS3s numeric @attribute GATS4s numeric @attribute GATS5s numeric @attribute MATS2i numeric @attribute MATS4e numeric @attribute MATS5i numeric @attribute nCb. numeric @attribute nCIR numeric @attribute NdssC numeric @attribute PW2 numeric @attribute PW5 numeric @attribute RBF numeric @attribute SM11_AEA.ri. numeric @attribute SM14_AEA.dm. numeric @attribute SpDiam_EA.bo. numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.ed. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax_EA.bo. numeric @attribute SpMin2_Bh.p. numeric @attribute X1Av numeric @attribute X2Av numeric @attribute X3Av numeric @attribute X4Av numeric @attribute X5Av numeric @attribute ATS6s numeric @attribute ATS7p numeric @attribute ATS8v numeric @attribute ATSC4p numeric @attribute Eig02_AEA.ed. numeric @attribute Eig02_AEA.ri. numeric @attribute Eig02_EA numeric @attribute Eig02_EA.ed. numeric @attribute Eig02_EA.ri. numeric @attribute Eig11_EA numeric @attribute GATS5v numeric @attribute MATS5v numeric @attribute SdsssP numeric @attribute SM05_AEA.dm. numeric @attribute SM10_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute pXC50 numeric @data {1 15.367,2 4.312,3 6.061,4 4.395,5 4.522,6 4.402,7 5.333,8 5.531,9 4.56,10 6.351,11 4.417,12 5.398,13 5.627,14 4.564,15 4.372,16 5.392,17 5.662,18 4.247,19 5.301,20 5.589,21 4.178,22 6.256,23 60.335,24 45.18,25 81.757,26 2.165,27 20.743,28 88.9,29 22.184,30 97.849,31 26.613,32 2.208,33 57.513,34 21.11,35 26.666,36 0.966,37 53.167,38 117.772,39 5.196,40 250.68,41 38.438,42 4,43 3.286,44 6.435,45 3.701,46 2.703,47 9.641,48 2.694,49 5.951,50 3.298,51 7.614,52 3.865,53 3.663,54 1.317,55 1.38,56 3.543,57 3.467,58 0.652,59 0.849,60 6,61 4.444,62 3.708,63 1.815,64 0.973,65 0.647,66 0.57,67 0.505,68 0.298,69 -0.074,70 3.947,71 6.29,72 4.533,73 4.779,74 4.875,75 4.977,76 5.056,77 6.893,78 7.802,79 8.734,80 9.663,81 10.606,82 11.546,83 12.496,84 2,85 2,86 5.411,87 5.965,88 6.254,89 6.677,90 7.032,91 56,92 70.251,93 302.682,94 26.565,95 6.004,96 6.961,97 7.659,98 4.369,99 4.89,100 8.571,101 4.366,102 7.576,103 1.317,104 9.459,105 6.344,106 11.73,107 6.313,108 8.978,109 11.353,110 7.091,111 7.94,112 14.187,113 7.075,114 10.429,115 13.308,116 8.572,117 9.704,118 17.035,119 8.543,120 11.914,121 15.303,122 9.686,123 19.732,124 9.663,125 13.423,126 17.325,127 11.03,128 22.53,129 11.002,130 19.367,131 12.272,132 25.298,133 12.246,134 21.424,135 13.586,136 28.093,137 13.558,138 2.703,139 23.493,140 14.874,141 30.884,142 14.847,143 9.641,144 25.57,145 16.186,146 33.683,147 16.158,148 7.614,149 27.655,150 17.493,151 36.482,152 17.465,153 29.745,154 3.298,155 18.809,156 39.284,157 18.781,158 31.84,159 20.126,160 42.087,161 20.097,162 5.946,163 17.31,164 4.125,165 4.093,166 4.085,167 7.392,168 4.861,169 4.553,170 3.369,171 3.407,172 4.292,173 3.149,174 4.072,175 1.907,176 1.886,177 1.539,178 8.776,179 10.51,180 -0.849,181 94.859,182 12.987,183 10.658,184 5.16,185 4.457,186 4.317,187 5.267,188 5.458,189 2.036,190 22.44,191 24.168,192 48,193 1,194 26,195 23,196 14.432,197 4.972,198 8.3,199 4.799,200 3.8,201 16.533,202 3.796,203 3.736,204 3.278,205 2.278,206 5.119,207 4.218,208 2.781,209 4,210 1.908,211 2.317,212 1.317,213 2.449,214 0.671,215 0.603,216 0.093,217 0.066,218 0.016,219 0.435,220 -0.089,221 3.892,222 4.22,223 4.997,224 5.011,225 5.984,226 1,227 1,228 2,229 2,230 1,231 10.067,232 70.251,233 20,234 9,235 2,236 70.251,237 4.575,238 4.55,239 6.229,240 2.425,241 4.562,242 2.449,243 10.863,244 6.557,245 12.452,246 3.8,247 13.776,248 8.494,249 16.533,250 15.298,251 16.702,252 10.408,253 18.2,254 19.644,255 12.312,256 21.135,257 22.602,258 14.211,259 55.427,260 149.233,261 8.202,262 5.799,263 5.8,264 24.905,265 5.796,266 1.584,267 1.428,268 4.141,269 4.972,270 8.3,271 4.799,272 3.8,273 16.533,274 3.796,275 1.399,276 2.025,277 1.999,278 1.623,279 1.648,280 7.114,281 5.043,282 7.424,283 7.597,284 19605,285 11.507,286 0.172,287 9.643,288 0.105,289 7.989,290 0.068,291 198,292 0.49,293 0.02,294 1.192,295 4,296 1,297 22,298 27,299 19,300 12.882,301 4.479,302 0.145,303 4.799,304 1.01,305 0.912,306 1.683,307 1.543,308 0.083,309 -0.161,310 -0.052,311 4,312 6,313 1,314 0.557,315 0.112,316 0.208,317 4.479,318 4.799,319 7.479,320 1.459,321 1.447,322 1.45,323 4.264,324 7.432,325 4.479,326 1.984,327 0.397,328 0.226,329 0.126,330 0.07,331 0.041,332 6.335,333 4.475,334 4.142,335 19.535,336 6.967,337 4.252,338 3.262,339 11.762,340 3.227,341 1,342 1.093,343 -0.104,344 -3.141,345 1,346 3.262,347 11.762,348 6.347} {0 CHEMBL25759,1 18.826,2 4.462,3 6.252,4 4.509,5 4.686,6 4.552,7 5.488,8 5.707,9 4.72,10 6.475,11 4.576,12 5.538,13 5.767,14 4.762,15 4.593,16 5.589,17 5.846,18 4.591,19 5.576,20 5.839,21 4.567,22 6.54,23 56.436,24 56.05,25 88.026,26 2.642,27 23.404,28 95.6,29 25.009,30 110.268,31 30.934,32 2.862,33 67.598,34 25.553,35 33.33,36 0.9,37 67.307,38 130.179,39 5.385,40 313.737,41 43.052,42 4.034,43 3.234,44 6.437,45 3.718,46 2.717,47 9.65,48 2.717,49 5.951,50 3.324,51 7.614,52 4,53 3.902,54 1.527,55 1.489,56 3.869,57 3.663,58 0.826,59 0.913,60 7.5,61 5.111,62 3.833,63 2.157,64 1.174,65 0.865,66 0.824,67 0.65,68 0.424,69 -0.036,70 3.991,71 7.233,72 4.691,73 4.956,74 5.05,75 5.182,76 5.328,77 7.077,78 7.973,79 8.892,80 9.809,81 10.741,82 11.671,83 12.612,84 2,85 2,86 5.628,87 6.185,88 6.403,89 6.795,90 7.179,91 66,92 59.251,93 399.588,94 27.753,95 6.188,96 7.104,97 7.815,98 4.511,99 5.075,100 8.621,101 4.51,102 7.781,103 1.527,104 9.582,105 6.503,106 11.773,107 6.478,108 9.165,109 11.446,110 7.179,111 8.092,112 14.2,113 7.17,114 10.594,115 13.375,116 8.667,117 9.898,118 17.045,119 8.646,120 12.057,121 15.35,122 9.737,123 19.735,124 9.726,125 13.546,126 17.358,127 11.079,128 22.533,129 11.064,130 19.39,131 12.301,132 25.3,133 12.292,134 21.44,135 13.611,136 28.095,137 13.602,138 2.717,139 23.503,140 14.89,141 30.886,142 14.886,143 9.65,144 25.577,145 16.199,146 33.685,147 16.196,148 7.614,149 27.659,150 17.502,151 36.484,152 17.503,153 29.748,154 3.324,155 18.817,156 39.287,157 18.82,158 31.843,159 20.132,160 42.089,161 20.138,162 5.95,163 19.865,164 4.132,165 4.098,166 4.09,167 7.392,168 5.113,169 4.557,170 3.54,171 3.585,172 4.515,173 3.392,174 4.292,175 1.928,176 1.903,177 1.661,178 8.949,179 10.658,180 -0.836,181 109.55,182 13.11,183 12.651,184 5.343,185 4.642,186 4.5,187 5.44,188 5.654,189 2.539,190 26.997,191 28.545,192 59,193 1,194 28,195 24,196 21.699,197 4.972,198 8.3,199 4.802,200 3.8,201 16.536,202 3.806,203 3.98,204 3.598,205 2.585,206 5.424,207 5.132,208 3.094,209 4.878,210 2.216,211 2.526,212 1.524,213 3.058,214 0.752,215 0.597,216 0.087,217 0.058,218 0.014,219 0.42,220 -0.12,221 4.094,222 4.394,223 5.371,224 5.468,225 6.18,226 1,227 1,228 2,229 2,230 1,231 11.059,232 59.251,233 25,234 11,235 2,236 110.159,237 4.779,238 4.76,239 6.448,240 1.917,241 3.614,242 3.058,243 10.983,244 5.236,245 12.596,246 3.8,247 13.868,248 6.814,249 16.536,250 15.399,251 16.77,252 8.368,253 18.269,254 19.693,255 9.909,256 21.181,257 22.636,258 11.443,259 67.218,260 182.053,261 8.202,262 5.818,263 5.8,264 24.908,265 5.806,266 1.563,267 1.446,268 4.15,269 4.972,270 8.3,271 4.802,272 3.8,273 16.536,274 3.806,275 1.401,276 2.025,277 2,278 1.875,279 1.797,280 7.307,281 5.043,282 7.424,283 8.062,284 34287,285 14.038,286 0.175,287 11.635,288 0.108,289 9.851,290 0.07,291 241,292 0.491,293 0.021,294 1.142,295 5,296 1,297 26,298 31,299 24,300 22.477,301 4.479,302 0.505,303 7.169,304 1.083,305 1.002,306 1.588,307 1.534,308 0.017,309 -0.148,310 -0.025,311 6,312 7,313 1,314 0.563,315 0.108,316 0.186,317 4.479,318 7.169,319 7.479,320 1.471,321 1.462,322 1.463,323 4.234,324 7.428,325 4.479,326 1.984,327 0.381,328 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