@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4251

@attribute molecule_id {CHEMBL123502,CHEMBL124519,CHEMBL124520,CHEMBL124572,CHEMBL124981,CHEMBL125085,CHEMBL125249,CHEMBL125250,CHEMBL126068,CHEMBL126375,CHEMBL126964,CHEMBL127729,CHEMBL127767,CHEMBL127777,CHEMBL330769,CHEMBL331440,CHEMBL331635,CHEMBL332852,CHEMBL333773,CHEMBL333812,CHEMBL338033,CHEMBL340522,CHEMBL419433}
@attribute JGI5 numeric
@attribute DLS_cons numeric
@attribute GGI5 numeric
@attribute MATS5s numeric
@attribute ATS7s numeric
@attribute Eig06_AEA.dm. numeric
@attribute Eig06_AEA.ed. numeric
@attribute Eig06_EA.ed. numeric
@attribute Eig07_AEA.dm. numeric
@attribute Eig08_AEA.dm. numeric
@attribute GGI1 numeric
@attribute GGI3 numeric
@attribute SM15_AEA.dm. numeric
@attribute SpMax1_Bh.e. numeric
@attribute SpMax1_Bh.v. numeric
@attribute X0Av numeric
@attribute X3Av numeric
@attribute ZM1Per numeric
@attribute ZM2Kup numeric
@attribute ZM2MulPer numeric
@attribute ZM2Per numeric
@attribute ZM2V numeric
@attribute Eta_B numeric
@attribute GATS1v numeric
@attribute SpMax5_Bh.s. numeric
@attribute Eig03_AEA.ri. numeric
@attribute Eig03_EA.ri. numeric
@attribute Eig04_AEA.ri. numeric
@attribute Eig04_EA.ri. numeric
@attribute Eig05_AEA.ri. numeric
@attribute Eig06_AEA.ri. numeric
@attribute Eig08_EA.ri. numeric
@attribute Eig15_AEA.ri. numeric
@attribute MATS8v numeric
@attribute SpMax2_Bh.i. numeric
@attribute SpMax2_Bh.p. numeric
@attribute SpMax2_Bh.v. numeric
@attribute SpMax3_Bh.e. numeric
@attribute SpMax3_Bh.i. numeric
@attribute SpMax3_Bh.m. numeric
@attribute SpMax3_Bh.p. numeric
@attribute SpMax3_Bh.v. numeric
@attribute SpMax4_Bh.e. numeric
@attribute SpMax4_Bh.i. numeric
@attribute SpMax4_Bh.m. numeric
@attribute SpMax4_Bh.v. numeric
@attribute SpMin2_Bh.e. numeric
@attribute SpMin2_Bh.i. numeric
@attribute SpMin3_Bh.i. numeric
@attribute GATS8m numeric
@attribute ATS3s numeric
@attribute CENT 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.ed. numeric
@attribute CSI numeric
@attribute D.Dtr09 numeric
@attribute ECC numeric
@attribute Eig03_EA numeric
@attribute Eig04_AEA.bo. numeric
@attribute Eig04_EA numeric
@attribute Eig04_EA.bo. numeric
@attribute Eig04_EA.ed. numeric
@attribute Eig05_EA numeric
@attribute Eig06_EA numeric
@attribute Eig07_AEA.ed. numeric
@attribute Eig07_EA.bo. numeric
@attribute Eig07_EA.ed. numeric
@attribute Eig08_AEA.bo. 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 Eig09_AEA.bo. numeric
@attribute Eig09_EA numeric
@attribute Eig09_EA.ed. numeric
@attribute Eig12_AEA.bo. numeric
@attribute Eig12_AEA.dm. numeric
@attribute Eig12_AEA.ed. numeric
@attribute Eig12_EA numeric
@attribute Eig13_AEA.bo. numeric
@attribute Eig13_AEA.ed. numeric
@attribute Eig14_AEA.bo. numeric
@attribute Eig14_AEA.dm. numeric
@attribute Eig14_AEA.ed. numeric
@attribute Eig14_EA numeric
@attribute Eig14_EA.bo. numeric
@attribute Eig15_AEA.dm. numeric
@attribute Eig15_EA numeric
@attribute Eig15_EA.bo. numeric
@attribute Eig15_EA.ed. numeric
@attribute GGI9 numeric
@attribute GMTI numeric
@attribute IDET numeric
@attribute IDMT numeric
@attribute LPRS numeric
@attribute MATS3s numeric
@attribute MATS4i numeric
@attribute MDDD numeric
@attribute MPC10 numeric
@attribute RDCHI numeric
@attribute SM02_AEA.dm. numeric
@attribute SM02_AEA.ri. numeric
@attribute SM03_AEA.dm. numeric
@attribute SM03_AEA.ri. numeric
@attribute SM04_AEA.ri. numeric
@attribute SM06_AEA.dm. numeric
@attribute SM08_AEA.dm. numeric
@attribute SM09_AEA.dm. numeric
@attribute SM10_AEA.ri. numeric
@attribute SM11_AEA.bo. numeric
@attribute SM12_AEA.bo. numeric
@attribute SM13_AEA.bo. numeric
@attribute SM13_AEA.dm. numeric
@attribute SM14_AEA.bo. numeric
@attribute SM14_AEA.ri. numeric
@attribute SMTI numeric
@attribute SpMax1_Bh.m. numeric
@attribute SpMax8_Bh.p. numeric
@attribute SpMaxA_AEA.bo. numeric
@attribute SpMaxA_AEA.ed. numeric
@attribute SpMaxA_EA numeric
@attribute SpMaxA_EA.bo. numeric
@attribute SpMaxA_EA.ri. numeric
@attribute SpMin8_Bh.e. numeric
@attribute UNIP numeric
@attribute Wap numeric
@attribute X2 numeric
@attribute X2sol numeric
@attribute Xu numeric
@attribute AMR numeric
@attribute Mv numeric
@attribute SpAD_AEA.dm. numeric
@attribute SpMaxA_AEA.dm. numeric
@attribute AMW numeric
@attribute ATS1s numeric
@attribute Chi1_EA.ri. numeric
@attribute Eig09_AEA.dm. numeric
@attribute Eig13_EA.ri. numeric
@attribute Eig14_EA.ri. numeric
@attribute Eig15_EA.ri. numeric
@attribute GATS1i numeric
@attribute GATS6i numeric
@attribute GMTIV numeric
@attribute H. numeric
@attribute MATS3m numeric
@attribute SMTIV numeric
@attribute SpMax3_Bh.s. numeric
@attribute SpMax8_Bh.s. numeric
@attribute SpMaxA_AEA.ri. numeric
@attribute ZM1MulPer numeric
@attribute GATS3m numeric
@attribute SpMax2_Bh.e. numeric
@attribute MSD numeric
@attribute SpMaxA_EA.ed. numeric
@attribute SpMax8_Bh.v. numeric
@attribute SpMin8_Bh.i. numeric
@attribute AAC numeric
@attribute AECC numeric
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute ARR numeric
@attribute ATS1e numeric
@attribute ATS1i numeric
@attribute ATS1m numeric
@attribute ATS1p 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 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 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 pXC50 numeric

@data
{1 0.023,2 0.93,3 0.632,4 -0.268,5 5.422,6 1.729,7 4.158,8 3.837,9 1.202,10 1.077,11 4,12 1.313,13 3.837,14 3.966,15 3.868,16 0.585,17 0.098,18 394.74,19 305.085,20 308.331,21 450.35,22 291,23 0.452,24 1.055,25 4.124,26 3.345,27 2.229,28 2.926,29 1.859,30 2.692,31 2.628,32 1,34 -0.029,35 3.926,36 3.708,37 3.72,38 3.702,39 3.773,40 3.596,41 3.49,42 3.52,43 3.417,44 3.497,45 3.271,46 3.24,47 1.833,48 1.768,49 1.551,50 1.059,51 5.514,52 644,53 11.899,54 11.899,55 11.899,56 11.899,57 11.899,58 4.423,59 438,61 204,62 2.425,63 3.327,64 2,65 2.577,66 5.473,67 1.736,68 1.657,69 3.493,70 1.5,71 2.622,72 2.344,73 3.44,74 2,75 1,76 1.308,77 2.431,78 2.198,79 1,80 2.136,81 0.927,82 -0.245,83 2.553,84 -0.392,85 0.677,86 2.217,87 0.5,88 -0.645,89 1.872,90 -0.753,91 -0.964,92 -0.784,93 -1,94 -1,95 -2.347,96 0.04,97 5046,98 769.219,99 8486.23,100 101.184,101 -0.017,102 0.025,103 16.612,104 4.174,105 3.494,106 1,107 2.622,108 1,109 2.431,110 2.136,111 -0.392,112 -0.753,113 -1,114 -2.347,115 2.425,116 2,117 1.736,118 5.473,119 1.657,120 2.577,121 4874,122 3.907,123 2.619,124 0.178,125 0.259,126 0.123,127 0.161,128 0.115,129 0.858,130 72,131 6430,132 9.448,133 9.448,134 21.73,135 92.854,136 0.599,137 35.212,138 0.133,139 6.783,140 4.897,141 12.574,142 1.071,143 -0.554,144 -0.751,145 -0.939,146 1.576,147 1.216,148 10824,149 50,150 0.024,151 7277,152 4.709,153 3.652,154 0.162,155 280.424,156 0.954,157 3.874,158 5.525,159 0.389,160 2.654,161 0.741,162 1.423,163 9.273,164 3.611,165 13.041,166 0.5,167 3.873,168 4.027,169 3.364,170 3.348,171 3.321,172 4.421,173 4.638,174 3.699,175 3.734,176 5.424,177 3.665,178 4.683,179 4.947,180 3.684,181 3.851,182 3.748,183 4.68,184 4.959,185 3.631,186 3.779,187 5.59,188 3.666,189 4.606,190 4.884,191 3.568,192 3.707,193 5.522,194 3.62,195 4.52,196 4.78,197 3.513,198 3.647,199 5.501,200 3.564,201 4.506,202 4.793,203 3.35,204 3.582,205 3.471,206 4.418,207 4.71,208 3.141,209 3.528,210 5.219,211 3.369,212 0.048,213 0.704,214 10.259,215 3.407,216 8.532,217 5.416,218 0.337,219 1.077,220 18.753,221 6.38,222 27.44,223 9.532,224 0.21,225 1.237,226 24.85,227 7.167,228 22.348,229 12.019,230 0.38,231 1.192,232 4}
{0 CHEMBL124519,1 0.02,2 0.9,3 0.486,4 -0.289,5 5.225,6 1.444,7 3.587,8 3.021,9 1.184,10 1.077,11 3.5,12 1.063,13 3.021,14 3.956,15 3.837,16 0.564,17 0.092,18 379.78,19 294.366,20 296.849,21 433.12,22 280,23 0.362,24 1.001,25 4.003,26 3.276,27 2.18,28 2.82,29 1.745,30 2.684,31 2.378,32 0.995,33 -0.049,34 -0.069,35 3.9,36 3.702,37 3.709,38 3.681,39 3.752,40 3.583,41 3.464,42 3.499,43 3.111,44 3.206,45 2.995,46 2.91,47 1.828,48 1.765,49 1.522,50 1.116,51 5.384,52 474,53 10.938,54 10.938,55 10.938,56 10.938,57 10.938,58 4.149,59 368,61 170,62 2.342,63 3.268,64 1.902,65 2.53,66 5.203,67 1.724,68 1.399,69 3.489,70 1.5,71 2.605,72 2.202,73 3.247,74 2,75 1,76 1.179,77 2.136,78 2,79 1,80 2.136,81 0.783,82 -0.424,83 2.24,84 -0.537,85 0.5,86 1.851,87 0.413,88 -0.784,89 1.555,90 -1,91 -1,92 -1,93 -1,94 -1.365,95 -2.347,96 0.023,97 3904,98 608.21,99 6218.64,100 88.403,101 -0.006,102 0.072,103 14.13,104 4.111,105 3.346,106 1,107 2.605,108 1,109 2.136,110 2.136,111 -0.537,112 -1,113 -1,114 -2.347,115 2.342,116 1.902,117 1.724,118 5.203,119 1.399,120 2.53,121 3756,122 3.906,123 2.508,124 0.194,125 0.282,126 0.134,127 0.176,128 0.122,129 0.717,130 61,131 5390,132 8.576,133 8.576,134 19.924,135 82.116,136 0.613,137 31.972,138 0.143,139 7.115,140 4.808,141 11.614,142 1,143 -0.757,144 -0.946,145 -1,146 1.58,147 1.268,148 8810,149 47.4,150 0.035,151 5784,152 4.68,153 3.577,154 0.175,155 270.041,156 0.94,157 3.85,158 5.092,159 0.424,160 2.526,161 0.614,162 1.462,163 8.5,164 3.392,165 11.503,166 0.545,167 3.745,168 3.897,169 3.279,170 3.216,171 3.205,172 4.272,173 4.482,174 3.607,175 3.591,176 5.332,177 3.536,178 4.52,179 4.785,180 3.556,181 3.668,182 3.58,183 4.461,184 4.745,185 3.474,186 3.535,187 5.402,188 3.444,189 4.308,190 4.573,191 3.429,192 3.444,193 5.302,194 3.402,195 4.242,196 4.477,197 3.37,198 3.432,199 5.297,200 3.379,201 4.286,202 4.563,203 3.153,204 3.384,205 3.275,206 4.164,207 4.455,208 2.827,209 3.28,210 4.963,211 3.107,212 0.034,213 0.626,214 8.452,215 2.767,216 7.112,217 4.354,218 0.298,219 0.946,220 15.492,221 5.297,222 24.584,223 7.807,224 0.182,225 1.052,226 21.006,227 5.765,228 20.025,229 9.741,230 0.343,231 0.953,232 4}
{0 CHEMBL124520,1 0.021,2 0.86,3 0.497,4 -0.328,5 5.15,6 1.767,7 4.365,8 4.277,9 1.435,10 1.302,11 3.5,12 1.354,13 4.277,14 4.03,15 3.955,16 0.577,17 0.102,18 391.96,19 301.535,20 305.782,21 448.74,22 289,23 0.376,24 1.027,25 3.904,26 3.36,27 2.254,28 2.961,29 1.918,30 2.671,31 2.532,32 1.152,34 -0.12,35 3.953,36 3.708,37 3.719,38 3.691,39 3.761,40 3.586,41 3.485,42 3.511,43 3.438,44 3.502,45 3.315,46 3.298,47 1.836,48 1.77,49 1.599,50 1.123,51 5.488,52 618,53 12.426,54 12.426,55 12.426,56 12.426,57 12.426,58 4.538,59 465,60 85.105,61 207,62 2.436,63 3.194,64 2,65 2.321,66 5.682,67 1.711,68 1.532,69 3.605,70 1.818,71 2.959,72 2.636,73 3.539,74 2.173,75 1.246,76 1.686,77 2.787,78 2.192,79 1,80 2.387,81 1.156,82 0.122,83 2.888,84 -0.062,85 0.753,86 2.405,87 0.645,88 -0.571,89 2,90 -0.752,91 -0.963,92 -0.784,93 -1,94 -1,95 -2.347,96 0.082,97 5660,98 780.788,99 8616.69,100 101.603,101 0.005,102 0.025,103 16.471,104 4.654,105 3.627,106 1.246,107 2.959,108 1,109 2.787,110 2.387,111 -0.062,112 -0.752,113 -1,114 -2.347,115 2.436,116 2,117 1.711,118 5.682,119 1.532,120 2.321,121 5208,122 3.963,123 2.599,124 0.171,125 0.25,126 0.12,127 0.154,128 0.119,129 0.828,130 75,131 13237,132 9.569,133 9.569,134 21.827,135 91.556,136 0.612,137 37.213,138 0.129,139 6.87,140 4.821,141 13.044,142 1.077,143 -0.477,144 -0.722,145 -0.932,146 1.516,147 1.13,148 11232,149 48.8,150 -0.023,151 7461,152 4.305,153 3.474,154 0.159,155 275.917,156 0.993,157 3.89,158 5.684,159 0.38,160 2.618,161 0.755,162 1.395,163 9.409,164 3.884,165 15.085,166 0.48,167 3.865,168 4.006,169 3.388,170 3.392,171 3.361,172 4.452,173 4.658,174 3.737,175 3.82,176 5.366,177 3.748,178 4.727,179 4.986,180 3.687,181 3.922,182 3.8,183 4.703,184 4.993,185 3.549,186 3.797,187 5.483,188 3.661,189 4.525,190 4.804,191 3.456,192 3.629,193 5.382,194 3.529,195 4.362,196 4.623,197 3.362,198 3.529,199 5.234,200 3.435,201 4.289,202 4.565,203 3.264,204 3.418,205 3.333,206 4.152,207 4.397,208 3.089,209 3.431,210 4.904,211 3.294,212 0.037,213 0.694,214 9.828,215 3.686,216 6.526,217 5.485,218 0.302,219 1.142,220 18.918,221 6.782,222 20.573,223 9.912,224 0.19,225 1.329,226 25.664,227 8.461,228 17.912,229 13.217,230 0.317,231 1.238,232 4}
{0 CHEMBL124572,1 0.03,2 1,3 0.917,4 -0.311,5 5.565,6 1.854,7 4.666,8 4.977,9 1.803,10 1.736,11 5.5,12 1.854,13 4.977,14 4.038,15 3.96,16 0.581,17 0.097,18 478.28,19 365.63,20 369.415,21 541.51,22 347,23 0.55,24 1.041,25 4.282,26 3.436,27 2.326,28 3.269,29 2.171,30 2.984,31 2.695,32 1.501,33 0.39,34 0.107,35 3.959,36 3.71,37 3.724,38 3.707,39 3.777,40 3.601,41 3.496,42 3.525,43 3.492,44 3.543,45 3.385,46 3.329,47 1.837,48 1.771,49 1.603,50 0.853,51 5.659,52 885,53 13.836,54 13.836,55 13.836,56 13.836,57 13.836,58 4.876,59 592,60 99.979,61 269,62 2.511,63 3.595,64 2.337,65 2.847,66 6.711,67 2.058,68 1.748,69 4.411,70 1.967,71 4.293,72 2.83,73 4.341,74 2.508,75 1.513,76 1.891,77 4.206,78 2.202,79 1.069,80 2.608,81 1.414,82 0.599,83 2.973,84 0.265,85 1.162,86 2.769,87 0.935,88 -0.24,89 2.559,90 -0.389,91 -0.485,92 -0.343,93 -0.551,94 -0.618,95 -1.357,96 0.155,97 7611,98 1056.67,99 12800.5,100 120.904,101 -0.05,102 -0.009,103 21.376,104 4.898,105 3.801,106 1.513,107 4.293,108 1.069,109 4.206,110 2.608,111 0.265,112 -0.389,113 -0.551,114 -1.357,115 2.511,116 2.337,117 2.058,118 6.711,119 1.748,120 2.847,121 7155,122 3.977,123 2.793,124 0.155,125 0.224,126 0.108,127 0.141,128 0.107,129 0.982,130 93,131 18331,132 11.017,133 11.017,134 24.318,135 102.633,136 0.604,137 42.237,138 0.117,139 6.949,140 5.012,141 14.699,142 1.189,143 -0.056,144 -0.352,145 -0.516,146 1.551,147 1.237,148 16905,149 49,150 -0.045,151 10804,152 4.733,153 3.661,154 0.143,155 340.709,156 1.008,157 3.896,158 6.195,159 0.344,160 2.789,161 0.903,162 1.521,163 10.76,164 3.642,165 13.263,166 0.429,167 4.001,168 4.142,169 3.518,170 3.469,171 3.455,172 4.578,173 4.781,174 3.882,175 3.89,176 5.561,177 3.838,178 4.821,179 5.065,180 3.86,181 4.013,182 3.92,183 4.832,184 5.101,185 3.789,186 3.947,187 5.704,188 3.833,189 4.746,190 5.017,191 3.713,192 3.822,193 5.636,194 3.745,195 4.62,196 4.858,197 3.654,198 3.778,199 5.568,200 3.699,201 4.676,202 4.957,203 3.532,204 3.726,205 3.623,206 4.589,207 4.884,208 3.377,209 3.68,210 5.358,211 3.529,212 0.036,213 0.779,214 11.343,215 3.986,216 8.648,217 6.009,218 0.38,219 1.232,220 21.763,221 7.533,222 30.515,223 10.82,224 0.247,225 1.431,226 28.311,227 8.539,228 23.998,229 13.69,230 0.388,231 1.381,232 4.125}
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