@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3896 @attribute molecule_id {CHEMBL1801176,CHEMBL1801177,CHEMBL1801178,CHEMBL1801179,CHEMBL1801180,CHEMBL1801181,CHEMBL1801182,CHEMBL1801183,CHEMBL1801184,CHEMBL1801185,CHEMBL1801186,CHEMBL1801187,CHEMBL1801188,CHEMBL1801189,CHEMBL1801190,CHEMBL1801191,CHEMBL1801192,CHEMBL1801205,CHEMBL1801206,CHEMBL1801207,CHEMBL1801208,CHEMBL1801209,CHEMBL1801210,CHEMBL1801211,CHEMBL1801212,CHEMBL1801213} @attribute MATS5m numeric @attribute MATS6i numeric @attribute MATS1m numeric @attribute ATSC1v numeric @attribute ATSC2v numeric @attribute ATSC6v numeric @attribute CIC0 numeric @attribute CIC1 numeric @attribute SIC1 numeric @attribute SpMAD_EA.ed. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMax4_Bh.m. numeric @attribute MATS4s numeric @attribute Eig08_AEA.ri. numeric @attribute Eig08_EA.ri. numeric @attribute SpMax5_Bh.m. numeric @attribute GATS3e numeric @attribute ATSC1e numeric @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 ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s 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 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.005 numeric @attribute C.006 numeric @attribute C.008 numeric @attribute C.012 numeric @attribute C.013 numeric @attribute C.014 numeric @attribute C.024 numeric @attribute C.026 numeric @attribute CATS2D_00_DD numeric @attribute CATS2D_00_DP numeric @attribute CATS2D_00_PP numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_DA 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_AP 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_LL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AP 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_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_08_AL numeric @attribute CATS2D_08_DA numeric @attribute CATS2D_08_DL numeric @attribute CATS2D_08_LL numeric @attribute CATS2D_08_PL numeric @attribute CATS2D_09_AA numeric @attribute CATS2D_09_AL numeric @attribute CATS2D_09_DA numeric @attribute CATS2D_09_DL numeric @attribute CATS2D_09_LL numeric @attribute CATS2D_09_PL 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 CIC2 numeric @attribute CIC3 numeric @attribute CIC4 numeric @attribute CIC5 numeric @attribute CID numeric @attribute Cl.089 numeric @attribute CMC.50 numeric @attribute CMC.80 numeric @attribute CSI numeric @attribute DBI numeric @attribute D.Dtr04 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 numeric @attribute D.Dtr09 numeric @attribute DECC numeric @attribute DELS numeric @attribute Depressant.50 numeric @attribute Depressant.80 numeric @attribute DLS_01 numeric @attribute DLS_04 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.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 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 pXC50 numeric @data {1 -0.154,2 0.074,3 0.076,4 6.464,5 10.812,6 13.871,7 4.157,8 2.124,9 0.627,10 4.471,11 1.787,12 1.643,13 3.347,14 -0.113,15 2.227,16 1.208,17 3.205,18 1.382,19 0.07,20 1.544,21 11.074,22 2.67,23 7.128,24 107.314,25 7.067,26 0.533,27 4.057,28 4.186,29 3.589,30 3.54,31 5.106,32 3.522,33 4.618,34 4.81,35 3.962,36 3.927,37 5.59,38 3.898,39 4.858,40 5.078,41 4.051,42 4.063,43 5.841,44 4.021,45 4.896,46 5.125,47 4.01,48 4.097,49 5.875,50 4.024,51 4.871,52 5.116,53 3.888,54 4.085,55 5.777,56 3.986,57 4.846,58 5.102,59 3.841,60 4.018,61 5.753,62 3.918,63 4.726,64 4.951,65 3.758,66 3.934,67 5.695,68 3.835,69 4.79,70 5.061,71 3.544,72 3.881,73 5.612,74 3.732,75 0.799,76 11.726,77 4.704,78 11.597,79 0.167,80 1.264,81 22.206,82 7.321,83 20.429,84 0.431,85 1.513,86 29.617,87 8.648,88 40.361,89 12.953,90 0.47,91 1.598,92 30.533,93 9.097,94 43.205,95 13.966,96 0.337,97 1.559,98 29.539,99 8.927,100 35.488,101 14.202,102 0.394,103 1.454,104 29.344,105 8.768,106 39.871,107 0.285,108 1.301,109 25.324,110 8.283,111 35.376,112 12.519,113 0.341,114 1.234,115 28.324,116 9.241,117 32.897,118 13.902,119 19,120 43,121 0.258,122 0.598,123 0.779,124 0.811,125 0.811,126 0.811,127 3.341,128 0.947,129 -4,130 -3.95,131 -3.74,132 38.5,133 3,134 2,136 3,137 1,141 4,142 2,146 2,147 1,148 12,150 2,151 5,153 3,154 10,158 2,159 4,160 7,161 1,162 7,163 1,164 7,168 8,169 1,170 8,172 1,174 2,177 9,179 2,180 1,181 6,182 1,183 1,185 4,187 3,188 1,190 2,191 6,193 1082,194 18.37,195 18.37,196 18.37,197 18.37,198 18.37,199 16.486,200 26.571,201 10.713,202 18.912,203 14.742,204 14.742,205 14.742,206 14.742,207 14.742,208 11.848,209 31.837,210 4.991,211 15.548,212 1.044,213 0.851,214 0.851,215 0.851,216 4.036,218 1,219 1,220 648,221 2.646,223 54.201,224 229.726,226 105.968,227 1.649,228 21.586,230 1,231 1,232 0.8,233 0.9,234 58.5,235 299,236 4.775,237 3.463,238 7.047,239 4.319,240 3.354,241 4.754,242 0.86,243 12.07,244 3.235,245 4.178,246 3.089,247 6.387,248 3.809,249 2.866,250 3.778,251 0.8,252 9.724,253 2.704,254 3.917,255 2.89,256 6.031,257 3.599,258 2.642,259 3.337,261 8.487,262 2.52,263 3.71,264 2.694,265 5.351,266 3.337,267 2.398,268 3.103,270 6.934,271 2.246,272 3.405,273 2.526,274 5.201,275 3.232,276 6.4} {0 CHEMBL1801177,1 -0.227,2 0.104,3 0.081,4 6.124,5 10.303,6 13.465,7 4.125,8 1.981,9 0.649,10 4.538,11 1.788,12 1.695,13 3.342,14 -0.081,15 2.202,16 1.184,17 3.201,18 1.359,19 0.078,20 1.519,21 10.538,22 2.318,23 5.373,24 104.107,25 7.05,26 0.552,27 4.02,28 4.16,29 3.553,30 3.502,31 5.07,32 3.484,33 4.574,34 4.774,35 3.931,36 3.892,37 5.532,38 3.864,39 4.789,40 5.017,41 3.987,42 4.004,43 5.764,44 3.956,45 4.82,46 5.061,47 3.967,48 4.032,49 5.774,50 3.966,51 4.789,52 5.02,53 3.863,54 4.039,55 5.74,56 3.946,57 4.811,58 5.075,59 3.785,60 3.977,61 5.71,62 3.871,63 4.673,64 4.909,65 3.658,66 3.878,67 5.569,68 3.768,69 4.733,70 5.015,71 3.421,72 3.81,73 5.51,74 3.647,75 0.795,76 11.323,77 4.281,78 11.394,79 0.165,80 1.243,81 21.234,82 6.757,83 19.05,84 0.402,85 1.455,86 27.437,87 7.788,88 34.546,89 12.102,90 0.38,91 1.509,92 28.216,93 8.101,94 34.76,95 12.891,96 0.322,97 1.479,98 26.818,99 8.173,100 35.266,101 12.96,102 0.385,103 1.402,104 28.382,105 8.485,106 38.954,107 0.212,108 1.244,109 24.002,110 7.789,111 24.541,112 11.954,113 0.277,114 1.159,115 26.77,116 8.583,117 30.282,118 13.204,119 19,120 42,121 0.256,122 0.618,123 0.796,124 0.843,125 0.843,126 0.843,127 3.305,128 0.936,129 -3.77,130 -3.73,131 -3.55,132 38,133 3,134 1,136 3,137 1,141 4,142 2,143 1,144 1,145 1,146 2,147 1,148 11,150 1,151 4,152 1,153 3,154 10,155 1,156 1,158 2,159 4,160 6,162 7,163 1,164 5,165 1,166 1,168 7,169 1,170 7,171 2,172 2,173 1,174 2,175 1,177 9,178 1,179 1,181 4,182 1,184 2,185 2,186 2,187 3,188 1,190 2,191 4,192 2,193 934,194 17.662,195 17.662,196 17.662,197 17.662,198 17.662,199 15.779,200 25.532,201 10.263,202 18.176,203 14.259,204 14.259,205 14.259,206 14.259,207 14.259,208 11.365,209 31.015,210 4.782,211 15.017,212 0.925,213 0.645,214 0.645,215 0.645,216 3.999,218 1,219 1,220 596,221 2.646,223 114.352,224 144.695,226 101.097,227 1.615,228 18.191,230 1,231 1,232 0.8,233 0.9,234 56,235 274,236 4.776,237 3.466,238 7.048,239 4.321,240 3.356,241 4.754,242 0.86,243 12.073,244 3.236,245 4.181,246 3.114,247 6.396,248 3.832,249 2.891,250 3.778,251 0.8,252 9.765,253 2.723,254 3.935,255 2.895,256 6.042,257 3.627,258 2.665,259 3.342,261 8.545,262 2.558,263 3.715,264 2.693,265 5.354,266 3.337,267 2.398,268 3.106,270 6.938,271 2.247,272 3.414,273 2.352,274 5.29,275 3.18,276 8} {0 CHEMBL1801178,1 -0.244,2 0.099,3 0.076,4 5.929,5 9.888,6 13.205,7 4.048,8 1.981,9 0.647,10 4.538,11 1.788,12 1.688,13 3.341,14 -0.103,15 2.2,16 1.181,17 3.2,18 1.369,19 0.078,20 1.567,21 10.538,22 2.608,23 6.799,24 102.449,25 7.214,26 0.552,27 4.006,28 4.132,29 3.556,30 3.487,31 5.074,32 3.476,33 4.56,34 4.749,35 3.936,36 3.873,37 5.554,38 3.854,39 4.774,40 4.987,41 3.991,42 3.978,43 5.798,44 3.942,45 4.777,46 5.003,47 3.967,48 4.005,49 5.774,50 3.951,51 4.769,52 4.991,53 3.868,54 4.022,55 5.758,56 3.937,57 4.799,58 5.055,59 3.794,60 3.958,61 5.745,62 3.859,63 4.649,64 4.874,65 3.664,66 3.851,67 5.581,68 3.75,69 4.711,70 4.986,71 3.429,72 3.776,73 5.534,74 3.624,75 0.761,76 10.793,77 4.37,78 11.448,79 0.184,80 1.202,81 20.613,82 6.768,83 20.051,84 0.483,85 1.396,86 26.949,87 7.794,88 40.193,89 11.514,90 0.393,91 1.46,92 26.608,93 7.886,94 35.747,95 12.062,96 0.354,97 1.448,98 25.874,99 8.011,100 37.142,101 12.426,102 0.447,103 1.364,104 28.024,105 8.477,106 43.47,107 0.233,108 1.191,109 23.184,110 7.822,111 23.44,112 11.608,113 0.296,114 1.118,115 26.366,116 8.604,117 33.273,118 12.862,119 19,120 42,121 0.265,122 0.615,123 0.798,124 0.846,125 0.846,126 0.846,127 3.305,128 0.928,129 -3.77,130 -3.73,131 -3.55,132 38.8,133 3,134 1,136 3,137 1,141 4,142 2,146 2,147 1,148 11,150 1,151 4,153 3,154 10,156 1,158 2,159 4,160 6,162 7,163 1,164 5,166 1,168 7,169 1,170 7,172 2,173 1,174 2,177 9,179 1,181 4,182 1,184 2,185 2,187 3,188 1,190 2,191 4,193 934,194 17.662,195 17.662,196 17.662,197 17.662,198 17.662,199 15.779,200 24.802,201 10.263,202 18.197,203 14.259,204 14.259,205 14.259,206 14.259,207 14.259,208 11.365,209 29.158,210 4.782,211 15.059,212 0.903,213 0.618,214 0.618,215 0.618,216 3.999,218 1,219 1,220 596,221 2.646,223 114.352,224 144.695,226 101.097,227 1.615,228 21.103,230 1,231 1,232 0.8,233 0.9,234 56.5,235 274,236 4.776,237 3.467,238 7.048,239 4.32,240 3.356,241 4.754,242 0.86,243 12.073,244 3.236,245 4.181,246 3.126,247 6.396,248 3.83,249 2.891,250 3.778,251 0.8,252 9.765,253 2.718,254 3.935,255 2.9,256 6.042,257 3.624,258 2.665,259 3.342,261 8.545,262 2.548,263 3.715,264 2.703,265 5.354,266 3.335,267 2.398,268 3.106,270 6.938,271 2.241,272 3.414,273 2.446,274 5.29,275 3.17,276 5.8} {0 CHEMBL1801179,1 -0.172,2 0.092,3 0.099,4 6.452,5 10.487,6 14.404,7 4.157,8 2.197,9 0.615,10 4.478,11 1.788,12 1.695,13 3.343,14 -0.105,15 2.214,16 1.194,17 3.203,18 1.397,19 0.051,20 1.544,21 11.074,22 3.016,23 9.096,24 107.2,25 7.067,26 0.533,27 4.057,28 4.185,29 3.597,30 3.53,31 5.096,32 3.516,33 4.626,34 4.82,35 3.96,36 3.905,37 5.573,38 3.886,39 4.799,40 5.007,41 4.03,42 4.026,43 5.765,44 3.989,45 4.848,46 5.069,47 4.019,48 4.087,49 5.805,50 4.022,51 4.903,52 5.148,53 3.903,54 4.103,55 5.803,56 4,57 4.865,58 5.128,59 3.844,60 4.014,61 5.734,62 3.91,63 4.707,64 4.93,65 3.752,66 3.918,67 5.612,68 3.823,69 4.793,70 5.067,71 3.543,72 3.867,73 5.588,74 3.726,75 0.795,76 11.695,77 4.689,78 10.355,79 0.231,80 1.242,81 22.802,82 7.143,83 22.408,84 0.457,85 1.447,86 27.732,87 8.128,88 33.115,89 12.079,90 0.36,91 1.571,92 28.634,93 8.758,94 33.464,95 13.426,96 0.399,97 1.59,98 30.645,99 9.211,100 38.047,101 14.617,102 0.439,103 1.442,104 30.188,105 9.168,106 38.446,107 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