@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4981 @attribute molecule_id {CHEMBL132906,CHEMBL133434,CHEMBL133834,CHEMBL255059,CHEMBL295698,CHEMBL305220,CHEMBL319160,CHEMBL328863,CHEMBL398686,CHEMBL421109,CHEMBL70396} @attribute AMR numeric @attribute ATS2m numeric @attribute ATS2s numeric @attribute BID numeric @attribute CENT numeric @attribute Chi0_EA.bo. 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 CID numeric @attribute CSI numeric @attribute Dz numeric @attribute Eig11_AEA.bo. numeric @attribute Eig11_AEA.ri. numeric @attribute Eig11_EA numeric @attribute Eig11_EA.ed. numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.ri. numeric @attribute Eig12_EA numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eta_alpha numeric @attribute GMTI numeric @attribute HDcpx numeric @attribute IDDM numeric @attribute IDET numeric @attribute IDM numeric @attribute IDMT numeric @attribute LPRS numeric @attribute MATS3p numeric @attribute MATS3v numeric @attribute MATS4m numeric @attribute MDDD numeric @attribute MPC01 numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute nBO numeric @attribute nSK numeric @attribute ON1 numeric @attribute Psi_e_0 numeric @attribute Psi_e_1 numeric @attribute Psi_i_0 numeric @attribute RDSQ numeric @attribute S0K numeric @attribute SM02_AEA.bo. numeric @attribute SM03_AEA.bo. numeric @attribute SM04_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ri. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ri. numeric @attribute SM08_AEA.ri. numeric @attribute SM09_AEA.dm. numeric @attribute SNar numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.ri. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMin5_Bh.v. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute VAR numeric @attribute Wap numeric @attribute X0 numeric @attribute X0sol numeric @attribute X1 numeric @attribute X1Mad numeric @attribute X2 numeric @attribute X2sol numeric @attribute X4 numeric @attribute X4sol numeric @attribute Xt numeric @attribute Xu numeric @attribute ZM1 numeric @attribute ZM2Mad numeric @attribute ATS7m 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.ri. numeric @attribute Chi1_EA.ri. numeric @attribute ECC numeric @attribute Eig11_EA.bo. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute IVDM numeric @attribute MATS4e numeric @attribute MATS4s numeric @attribute MW numeric @attribute SM10_AEA.ri. numeric @attribute SMTI numeric @attribute UNIP numeric @attribute X1sol numeric @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 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 ATS2p 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 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 ATSC1s 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 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.011 numeric @attribute C.012 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.024 numeric @attribute C.025 numeric @attribute C.026 numeric @attribute C.027 numeric @attribute C.033 numeric @attribute C.038 numeric @attribute C.040 numeric @attribute C.042 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_DA 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_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AA 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_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_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AA numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_AP numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_AP numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute Chi0_EA.dm. numeric @attribute Chi0_EA.ed. numeric @attribute Chi1_EA.bo. numeric @attribute Chi1_EA.dm. numeric @attribute Chi1_EA.ed. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute Cl.089 numeric @attribute CMC.80 numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute D.Dtr10 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_cons 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.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 pXC50 numeric @data {1 133.694,2 4.174,3 5.712,4 3.473,5 1457,6 19.358,7 16.6,8 16.6,9 16.6,10 16.6,11 16.6,12 4.152,13 740,14 63,15 1.928,16 1.921,17 0.922,18 2.264,19 0.921,20 1.764,21 0.766,22 1.821,23 0.764,24 3.419,25 1.375,26 0.417,27 1.006,28 0.396,29 3.27,30 0.922,31 3.151,32 0.869,33 -0.129,34 -0.133,35 15.333,36 10893,37 1.739,38 4.914,39 1658.59,40 8.606,41 21877.1,42 157.261,43 -0.067,44 -0.061,45 -0.159,46 32.258,47 3.555,48 3.555,49 5.198,50 34,51 31,52 6.41,53 11.707,54 5.122,55 24.504,56 313.086,57 149.58,58 5.011,59 6.269,60 7.681,61 0.922,62 0.766,63 2.264,64 0.417,65 1.821,66 1.006,67 -0.129,68 20.86,69 53.734,70 58.542,71 53.507,72 53.532,73 53.277,74 3.481,75 3.551,76 3.352,77 3.332,78 3.134,79 2.981,80 1.71,81 4.234,82 5.68,83 146,84 44587,85 22.82,86 22.82,87 14.377,88 14.311,89 14.931,90 14.931,91 10.693,92 10.693,93 0.219,94 28.389,95 180,96 230.326,97 3.946,98 19.591,99 19.591,100 19.591,101 19.591,102 19.591,103 19.62,104 16.665,105 348,106 0.924,107 -0.334,108 -0.129,109 4.804,110 -0.12,111 -0.098,112 428.82,113 -0.334,114 10790,115 117,116 14.377,117 1.03,118 11.226,119 8.37,120 70.055,121 5.167,123 4.438,124 4.588,125 3.682,126 3.99,127 5.16,128 3.878,129 5.125,130 5.348,131 4.53,132 4.393,133 5.552,134 5.782,135 4.429,136 4.885,137 6.198,138 4.718,139 5.89,140 6.166,141 4.408,142 5.058,143 6.479,144 4.833,145 5.998,146 6.323,147 4.236,148 5.028,149 6.493,150 4.752,151 5.891,152 6.236,153 4.069,154 4.857,155 6.362,156 4.574,157 5.664,158 5.99,159 4.699,160 6.15,161 4.432,162 5.581,163 5.911,164 3.88,165 4.6,166 6.092,167 4.338,168 0.098,169 1.103,170 21.598,171 9.753,172 8.745,173 13.707,174 0.182,175 1.998,176 39.433,177 17.687,178 12.194,179 24.955,180 0.291,181 2.962,182 59.22,183 26.198,184 30.69,185 37.039,186 0.411,187 3.771,188 76.582,189 33.37,190 43.494,191 47.392,192 0.39,193 3.89,194 78.792,195 34.56,196 44.205,197 49.295,198 0.364,199 3.342,200 68.464,201 29.666,202 39.754,203 42.385,204 0.282,205 2.78,206 56.351,207 24.692,208 28.316,209 35.214,210 0.272,211 2.526,212 51.665,213 22.398,214 30.224,215 31.954,216 87,217 56,218 0.16,219 0.32,220 0.567,221 0.762,222 0.847,223 0.847,224 1.217,225 -8.21,226 -7.95,227 -7.32,228 36.1,229 8,230 11,231 4,232 4,234 1,238 2,251 31,254 2,255 50,259 4,260 62,264 2,265 56,269 3,270 43,275 2,276 38,280 2,281 32,286 3,287 29,293 3,294 19,295 17.315,296 10.559,297 16.149,298 27.633,299 4.823,300 5.345,301 4.311,302 2.724,303 1.465,304 0.916,305 0.916,308 4.848,310 49.802,311 165.952,312 81.991,313 183.51,314 1.99,315 18.422,316 0.75,317 0.83,318 0.83,319 0.4,320 0.5,321 0.83,322 0.74,323 5.04,324 4.146,325 8.689,326 4.981,327 3.981,328 4.217,329 0.68,330 17.489,331 3.98,332 4.752,333 3.846,334 8.115,335 4.738,336 3.74,337 3.767,338 0.68,339 4.481} {0 CHEMBL133434,1 139.229,2 4.23,3 5.79,4 3.533,5 1803,6 20.485,7 17.556,8 17.556,9 17.556,10 17.556,11 17.556,12 4.211,13 778,14 68,15 2.328,16 2.229,17 1.207,18 3.026,19 1.228,20 1.914,21 0.915,22 2.243,23 0.913,24 3.737,25 1.711,26 0.706,27 1.709,28 0.709,29 3.414,30 1.134,31 3.257,32 1.042,33 0.046,34 0.048,35 16.167,36 12223,37 1.758,38 5.004,39 1874.13,40 8.805,41 25516.6,42 169.662,43 -0.045,44 -0.042,45 -0.089,46 34.028,47 3.611,48 3.611,49 5.252,50 36,51 33,52 6.91,53 12.508,54 5.566,55 25.638,56 346.075,57 160.465,58 5.081,59 6.335,60 7.741,61 1.207,62 0.915,63 3.026,64 0.706,65 2.243,66 1.709,67 0.046,68 21.959,69 57.264,70 62.914,71 56.719,72 56.745,73 56.738,74 3.523,75 3.578,76 3.383,77 3.373,78 3.207,79 3.095,80 1.735,81 4.29,82 5.733,83 162,84 49445,85 24.397,86 24.397,87 15.32,88 15.181,89 15.708,90 15.708,91 11.731,92 11.731,93 0.213,94 29.677,95 190,96 246.319,97 4.115,98 20.875,99 20.875,100 20.875,101 20.875,102 20.875,103 20.863,104 17.559,105 368,106 1.298,107 0.126,108 0.046,109 4.892,110 -0.045,111 -0.021,112 456.83,113 0.126,114 12188,115 121,116 15.32,117 1.092,118 11.152,119 7.279,120 52.99,121 5.374,123 4.465,124 4.61,125 3.739,126 4.016,127 5.243,128 3.913,129 5.146,130 5.363,131 4.553,132 4.425,133 5.582,134 5.804,135 4.51,136 4.913,137 6.298,138 4.761,139 5.921,140 6.188,141 4.562,142 5.1,143 6.61,144 4.902,145 6.034,146 6.335,147 4.388,148 5.087,149 6.671,150 4.84,151 5.96,152 6.295,153 4.261,154 4.93,155 6.543,156 4.676,157 5.728,158 6.025,159 4.785,160 6.39,161 4.547,162 5.701,163 6.029,164 4.068,165 4.695,166 6.307,167 4.453,168 0.1,169 1.127,170 21.917,171 9.919,172 11.273,173 13.83,174 0.195,175 2.037,176 40.421,177 17.965,178 17.267,179 25.246,180 0.344,181 3.032,182 61.741,183 26.669,184 39.253,185 37.6,186 0.514,187 3.898,188 81.717,189 34.31,190 63.794,191 48.763,192 0.563,193 4.08,194 86.82,195 36.011,196 75.839,197 51.556,198 0.523,199 3.583,200 77.378,201 31.647,202 68.761,203 45.526,204 0.453,205 2.994,206 64.41,207 26.356,208 59.675,209 37.696,210 0.4,211 2.802,212 60.385,213 24.721,214 52.684,215 35.514,216 109,217 59,218 0.168,219 0.365,220 0.622,221 0.781,222 0.853,223 0.853,224 1.185,225 -7.41,226 -7.19,227 -6.64,228 36.5,229 8,230 10,231 5,232 4,234 1,237 1,238 1,244 1,251 30,253 2,254 2,255 48,258 3,259 4,260 59,263 6,264 2,265 58,267 4,269 3,270 42,273 5,275 2,276 40,277 3,280 2,281 32,283 3,286 2,287 31,289 1,291 1,293 4,294 18,295 12.223,296 11.253,297 16.954,298 12.821,299 5.081,300 5.318,301 4.037,302 2.371,303 1.339,304 0.871,305 0.871,308 5.148,310 53.506,311 178.799,312 88.036,313 197.453,314 1.932,315 29.622,316 0.75,317 0.67,318 0.83,319 0.7,320 0.5,321 0.83,322 0.75,323 5.087,324 4.385,325 8.885,326 5.044,327 4.041,328 4.201,329 2.249,330 18.538,331 4.051,332 4.751,333 3.801,334 8.116,335 4.745,336 3.747,337 3.759,338 0.737,339 5.305} {0 CHEMBL133834,1 140.154,2 4.236,3 5.805,4 3.533,5 1803,6 20.653,7 17.556,8 17.556,9 17.556,10 17.556,11 17.556,12 4.211,13 778,14 68,15 2.223,16 2.179,17 1.207,18 3.026,19 1.166,20 1.912,21 0.915,22 2.243,23 0.911,24 3.737,25 1.7,26 0.706,27 1.709,28 0.7,29 3.414,30 1.131,31 3.257,32 1.04,33 0.046,34 0.048,35 16.167,36 12223,37 1.758,38 5.004,39 1874.13,40 8.805,41 25516.6,42 169.662,43 -0.042,44 -0.038,45 -0.094,46 34.028,47 3.611,48 3.611,49 5.252,50 36,51 33,52 6.91,53 12.504,54 5.551,55 25.76,56 346.075,57 162.465,58 5.063,59 6.312,60 7.717,61 1.207,62 0.915,63 3.026,64 0.706,65 2.243,66 1.709,67 0.046,68 21.959,69 57.112,70 62.914,71 56.738,72 56.745,73 56.218,74 3.524,75 3.585,76 3.385,77 3.37,78 3.195,79 3.088,80 1.75,81 4.29,82 5.733,83 162,84 49445,85 24.397,86 24.397,87 15.32,88 15.181,89 15.708,90 15.708,91 11.731,92 11.731,93 0.213,94 29.677,95 190,96 246.319,97 4.128,98 20.875,99 20.875,100 20.875,101 20.875,102 20.875,103 20.952,104 17.691,105 368,106 1.217,107 0.126,108 0.046,109 4.892,110 -0.045,111 -0.022,112 458.85,113 0.126,114 12188,115 121,116 15.32,117 1.083,118 11.152,119 7.462,120 55.683,121 5.274,123 4.49,124 4.636,125 3.744,126 4.026,127 5.257,128 3.922,129 5.17,130 5.386,131 4.567,132 4.437,133 5.613,134 5.84,135 4.515,136 4.931,137 6.298,138 4.774,139 5.956,140 6.225,141 4.57,142 5.125,143 6.613,144 4.922,145 6.081,146 6.386,147 4.4,148 5.121,149 6.68,150 4.867,151 6.015,152 6.354,153 4.273,154 4.969,155 6.558,156 4.707,157 5.797,158 6.102,159 4.829,160 6.406,161 4.581,162 5.765,163 6.1,164 4.08,165 4.739,166 6.324,167 4.486,168 0.113,169 1.153,170 22.686,171 10.131,172 10.577,173 14.155,174 0.21,175 2.08,176 41.548,177 18.328,178 17.125,179 25.797,180 0.354,181 3.105,182 63.408,183 27.326,184 36.951,185 38.62,186 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