@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3175 @attribute molecule_id {CHEMBL111779,CHEMBL112235,CHEMBL112239,CHEMBL112602,CHEMBL277008,CHEMBL320574,CHEMBL320575,CHEMBL321262,CHEMBL322711,CHEMBL322712,CHEMBL323394,CHEMBL323601,CHEMBL324765,CHEMBL325005,CHEMBL325839,CHEMBL334064,CHEMBL432622,CHEMBL433841} @attribute AAC 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 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 BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C. numeric @attribute C.024 numeric @attribute C.026 numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_LL 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_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_AL numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DD numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DD 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.dm. numeric @attribute Chi1_EA.ed. numeric @attribute Chi1_EA.ri. numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr09 numeric @attribute D.Dtr12 numeric @attribute DECC numeric @attribute DELS numeric @attribute DLS_02 numeric @attribute DLS_05 numeric @attribute DLS_cons 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.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.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 pXC50 numeric @data {1 1.689,2 10.605,3 0.162,4 0.026,5 147.852,6 8.347,7 0.49,8 4.431,9 4.517,10 4.059,11 3.898,12 5.662,13 3.936,14 4.975,15 5.083,16 4.518,17 4.367,18 6.175,19 4.393,20 5.325,21 5.475,22 4.745,23 4.557,24 6.664,25 4.578,26 5.448,27 5.608,28 4.806,29 4.648,30 6.793,31 4.667,32 5.46,33 5.608,34 4.892,35 4.714,36 6.767,37 4.739,38 5.539,39 5.671,40 4.955,41 4.769,42 7.006,43 4.797,44 5.56,45 5.701,46 4.895,47 4.782,48 6.915,49 4.786,50 5.591,51 5.752,52 4.824,53 4.732,54 6.96,55 4.719,56 0.449,57 1.047,58 13.051,59 6.466,60 65.342,61 6.762,62 0.845,63 1.757,64 24.033,65 10.879,66 104.03,67 12.142,68 1.773,69 2.277,70 40.725,71 14.703,72 203.911,73 17.728,74 2.064,75 2.531,76 48.005,77 16.181,78 271.139,79 19.41,80 1.664,81 2.633,82 45.548,83 17.377,84 191.142,85 20.568,86 2.032,87 2.793,88 48.067,89 18.514,90 280.045,91 21.073,92 1.869,93 2.836,94 48.829,95 19.443,96 223.427,97 22.54,98 2.077,99 2.8,100 53.582,101 20.021,102 258.983,103 24.13,104 93,105 76,106 0.26,107 0.611,108 0.758,109 0.864,110 0.897,111 0.906,112 3.789,113 0.834,114 -0.09,115 -0.24,116 -0.42,117 40.8,118 7,119 1,120 11,121 7,122 5,123 12,124 10,125 7,126 4,127 8,128 12,129 11,130 4,131 3,132 6,133 9,134 12,135 6,136 1,137 8,138 10,139 12,140 6,141 3,142 15,143 9,144 9,145 3,146 2,147 20,148 7,149 4,150 4,151 4,152 19,153 6,154 5,155 4,156 14,157 2,158 3455,159 29.231,160 29.231,161 29.231,162 29.231,163 29.231,164 26.461,165 20.351,166 16.266,167 29.719,168 23.919,169 23.919,170 23.919,171 23.919,172 23.919,173 19.331,174 20.995,175 7.436,176 24.875,177 4.461,178 2.172,179 1.214,180 0.528,181 0.31,182 0.254,183 4.505,184 1000,185 4.123,186 148.769,187 274.985,188 447.248,189 350.508,190 1.595,191 94.853,192 0.33,193 0.5,194 0.4,195 98,196 456,197 5.071,198 3.985,199 7.531,200 4.622,201 3.64,202 5.237,203 14.042,204 3.579,205 4.646,206 3.635,207 7.075,208 4.243,209 3.288,210 4.646,211 12.209,212 3.146,213 4.436,214 3.364,215 6.758,216 4.051,217 3.069,218 4,219 11.029,220 3.011,221 4.15,222 3.298,223 6.66,224 4.014,225 3.059,226 3.603,227 10.503,228 2.894,229 3.932,230 3.085,231 6.183,232 3.476,233 2.525,234 3.23,235 4.301} {0 CHEMBL112235,1 1.704,2 10.659,3 -0.106,4 0.011,5 149.546,6 8.453,7 0.48,8 4.451,9 4.533,10 4.082,11 3.903,12 5.705,13 3.949,14 4.987,15 5.091,16 4.546,17 4.373,18 6.215,19 4.407,20 5.341,21 5.485,22 4.77,23 4.567,24 6.702,25 4.595,26 5.469,27 5.628,28 4.832,29 4.659,30 6.829,31 4.68,32 5.477,33 5.625,34 4.911,35 4.721,36 6.792,37 4.753,38 5.554,39 5.683,40 4.977,41 4.779,42 7.035,43 4.809,44 5.577,45 5.715,46 4.93,47 4.791,48 6.932,49 4.806,50 5.617,51 5.766,52 4.9,53 4.751,54 7.039,55 4.757,56 0.521,57 1.058,58 13.08,59 6.525,60 76.567,61 6.644,62 0.925,63 1.773,64 23.649,65 10.95,66 115.634,67 12.009,68 1.907,69 2.296,70 40.598,71 14.783,72 223.408,73 17.474,74 2.252,75 2.561,76 48.664,77 16.459,78 294.335,79 19.754,80 1.816,81 2.663,82 45.913,83 17.364,84 218.988,85 20.322,86 2.229,87 2.815,88 47.918,89 18.794,90 307.632,91 21.279,92 2.003,93 2.856,94 48.942,95 19.546,96 248.452,97 22.248,98 2.341,99 2.837,100 53.411,101 20.21,102 308.268,103 23.853,104 112,105 78,106 0.261,107 0.617,108 0.754,109 0.84,110 0.878,111 0.899,112 3.811,113 0.825,114 0.34,115 0.17,116 -0.05,117 40.3,118 6,119 2,120 9,121 7,122 7,123 12,124 9,125 7,126 4,127 7,128 11,129 12,130 5,131 4,132 7,133 8,134 11,135 5,136 1,137 9,138 9,139 14,140 7,141 3,142 15,143 6,144 6,145 1,146 3,147 24,148 6,149 1,150 7,151 3,152 17,153 4,154 8,155 7,156 17,157 1,158 3718,159 29.679,160 29.679,161 29.679,162 29.679,163 29.679,164 26.884,165 22.507,166 16.402,167 30.207,168 24.402,169 24.402,170 24.402,171 24.402,172 24.402,173 19.744,174 22.157,175 7.516,176 25.435,177 4.466,178 2.143,179 1.251,180 0.688,181 0.444,182 0.306,183 4.525,184 1025,185 4.183,186 153.598,187 283.167,188 461.909,189 362.191,190 1.614,191 103.047,192 0.33,193 0.5,194 0.4,195 101,196 469,197 5.072,198 3.985,199 7.531,200 4.622,201 3.641,202 5.238,203 14.042,204 3.579,205 4.653,206 3.635,207 7.076,208 4.245,209 3.29,210 4.655,211 12.216,212 3.148,213 4.445,214 3.366,215 6.761,216 4.064,217 3.082,218 4.019,219 11.042,220 3.021,221 4.147,222 3.299,223 6.659,224 4.013,225 3.059,226 3.627,227 10.499,228 2.893,229 3.971,230 3.104,231 6.182,232 3.517,233 2.547,234 3.285,235 4.301} {0 CHEMBL112239,1 1.717,2 10.667,3 -0.373,4 0.139,5 151.24,6 8.556,7 0.471,8 4.47,9 4.549,10 4.105,11 3.908,12 5.747,13 3.961,14 4.998,15 5.098,16 4.573,17 4.38,18 6.25,19 4.421,20 5.358,21 5.495,22 4.805,23 4.577,24 6.743,25 4.614,26 5.494,27 5.647,28 4.875,29 4.673,30 6.894,31 4.705,32 5.504,33 5.647,34 4.943,35 4.738,36 6.838,37 4.774,38 5.578,39 5.701,40 5.023,41 4.792,42 7.076,43 4.834,44 5.61,45 5.74,46 5.003,47 4.81,48 7.04,49 4.838,50 5.653,51 5.796,52 4.959,53 4.77,54 7.132,55 4.787,56 0.595,57 1.069,58 13.113,59 6.581,60 88.453,61 6.525,62 1.008,63 1.788,64 23.26,65 11.018,66 128.79,67 11.876,68 2.049,69 2.315,70 40.419,71 14.881,72 244.574,73 17.314,74 2.456,75 2.596,76 49.208,77 16.555,78 330.144,79 19.606,80 2.022,81 2.702,82 46.532,83 17.775,84 251.816,85 20.565,86 2.435,87 2.852,88 48.133,89 18.928,90 339.699,91 21.069,92 2.34,93 2.912,94 49.482,95 19.881,96 306.755,97 22.482,98 2.717,99 2.896,100 54.483,101 20.469,102 366.472,103 23.908,104 133,105 80,106 0.263,107 0.619,108 0.767,109 0.862,110 0.896,111 0.909,112 3.833,113 0.817,114 1.04,115 0.84,116 0.54,117 39.7,118 5,119 3,120 8,121 7,122 7,123 10,124 9,125 7,126 5,127 9,128 9,129 12,130 5,131 4,132 8,133 7,134 10,135 5,136 2,137 10,138 7,139 10,140 8,141 3,142 17,143 6,144 5,145 5,146 3,147 22,148 4,149 2,150 8,151 5,152 19,153 3,154 7,155 7,156 16,157 1,158 3918,159 30.179,160 30.179,161 30.179,162 30.179,163 30.179,164 27.339,165 24.664,166 16.614,167 30.737,168 24.886,169 24.886,170 24.886,171 24.886,172 24.886,173 20.142,174 24.483,175 7.609,176 25.983,177 4.473,178 2.144,179 1.173,180 0.552,181 0.329,182 0.247,183 4.545,184 1046,185 4.243,186 157.116,187 290.507,188 473.462,189 370.581,190 1.585,191 112.62,192 0.17,193 0.5,194 0.38,195 104,196 480,197 5.076,198 3.985,199 7.534,200 4.625,201 3.644,202 5.245,203 14.054,204 3.582,205 4.681,206 3.636,207 7.082,208 4.251,209 3.296,210 4.696,211 12.244,212 3.155,213 4.474,214 3.385,215 6.823,216 4.118,217 3.14,218 4.062,219 11.261,220 3.063,221 4.148,222 3.31,223 6.66,224 4.013,225 3.06,226 3.678,227 10.501,228 2.893,229 4.03,230 3.17,231 6.185,232 3.586,233 2.616,234 3.327,235 4.301} {0 CHEMBL112602,1 1.704,2 10.614,3 -0.106,4 0.011,5 149.546,6 8.453,7 0.48,8 4.451,9 4.533,10 4.082,11 3.903,12 5.706,13 3.949,14 4.987,15 5.091,16 4.546,17 4.373,18 6.211,19 4.407,20 5.342,21 5.485,22 4.781,23 4.567,24 6.71,25 4.597,26 5.473,27 5.628,28 4.84,29 4.662,30 6.84,31 4.689,32 5.484,33 5.632,34 4.913,35 4.728,36 6.797,37 4.756,38 5.556,39 5.684,40 4.992,41 4.779,42 7.036,43 4.815,44 5.585,45 5.718,46 4.957,47 4.797,48 6.989,49 4.814,50 5.625,51 5.776,52 4.895,53 4.752,54 7.056,55 4.754,56 0.521,57 1.058,58 13.08,59 6.525,60 76.678,61 6.644,62 0.925,63 1.773,64 23.649,65 10.95,66 116.35,67 12.009,68 1.912,69 2.297,70 40.597,71 14.801,72 222.367,73 17.571,74 2.246,75 2.567,76 48.572,77 16.3,78 297.666,79 19.231,80 1.829,81 2.674,82 46.275,83 17.73,84 218.234,85 20.883,86 2.2,87 2.818,88 48.02,89 18.69,90 304.804,91 21.071,92 2.117,93 2.877,94 48.834,95 19.607,96 266.364,97 22.423,98 2.429,99 2.851,100 54.288,101 20.29,102 313.209,103 24.146,104 112,105 78,106 0.261,107 0.617,108 0.767,109 0.862,110 0.895,111 0.907,112 3.811,113 0.825,114 0.34,115 0.17,116 -0.05,117 40.3,118 6,119 2,120 10,121 7,122 5,123 10,124 10,125 7,126 5,127 10,128 10,129 11,130 4,131 3,132 8,133 8,134 11,135 6,136 1,137 9,138 8,139 10,140 7,141 3,142 17,143 8,144 7,145 5,146 2,147 20,148 5,149 4,150 6,151 5,152 20,153 5,154 5,155 5,156 13,157 2,158 3684,159 29.731,160 29.731,161 29.731,162 29.731,163 29.731,164 26.916,165 22.507,166 16.428,167 30.249,168 24.386,169 24.386,170 24.386,171 24.386,172 24.386,173 19.723,174 22.157,175 7.492,176 25.41,177 4.466,178 2.143,179 1.167,180 0.549,181 0.333,182 0.25,183 4.525,184 1021,185 4.183,186 152.486,187 282.245,188 459.136,189 359.435,190 1.568,191 104.001,192 0.33,193 0.5,194 0.4,195 101,196 467,197 5.075,198 3.985,199 7.533,200 4.625,201 3.643,202 5.244,203 14.053,204 3.581,205 4.671,206 3.635,207 7.08,208 4.247,209 3.293,210 4.683,211 12.233,212 3.151,213 4.465,214 3.378,215 6.816,216 4.101,217 3.122,218 4.043,219 11.227,220 3.049,221 4.151,222 3.307,223 6.66,224 4.014,225 3.06,226 3.656,227 10.505,228 2.894,229 3.997,230 3.147,231 6.186,232 3.548,233 2.578,234 3.269,235 4.301} {0 CHEMBL277008,1 1.704,2 10.614,3 -0.106,4 0.011,5 149.546,6 8.453,7 0.48,8 4.451,9 4.533,10 4.082,11 3.903,12 5.706,13 3.949,14 4.987,15 5.091,16 4.546,17 4.373,18 6.207,19 4.407,20 5.342,21 5.485,22 4.792,23 4.567,24 6.715,25 4.6,26 5.477,27 5.628,28 4.86,29 4.664,30 6.857,31 4.698,32 5.497,33 5.641,34 4.926,35 4.736,36 6.823,37 4.766,38 5.574,39 5.698,40 5.023,41 4.786,42 7.085,43 4.828,44 5.605,45 5.737,46 4.968,47 4.806,48 7.025,49 4.827,50 5.639,51 5.792,52 4.891,53 4.759,54 7.086,55 4.755,56 0.521,57 1.058,58 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