@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3718 @attribute molecule_id {CHEMBL123520,CHEMBL123683,CHEMBL123742,CHEMBL123799,CHEMBL123971,CHEMBL124016,CHEMBL124319,CHEMBL124397,CHEMBL124530,CHEMBL124537,CHEMBL124639,CHEMBL124640,CHEMBL124641,CHEMBL124645,CHEMBL124753,CHEMBL124860,CHEMBL125136,CHEMBL125152,CHEMBL125314,CHEMBL125973,CHEMBL126468,CHEMBL126531,CHEMBL126752,CHEMBL127070,CHEMBL127127,CHEMBL127209,CHEMBL127247,CHEMBL127250,CHEMBL127375,CHEMBL127393,CHEMBL127467,CHEMBL127529,CHEMBL127536,CHEMBL127568,CHEMBL128039,CHEMBL17432,CHEMBL275965,CHEMBL277577,CHEMBL338994,CHEMBL339101,CHEMBL339247,CHEMBL339510,CHEMBL340318,CHEMBL340623,CHEMBL419788,CHEMBL434432,CHEMBL445839,CHEMBL446113} @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMin5_Bh.p. numeric @attribute BID numeric @attribute Chi1_EA.bo. numeric @attribute Eig09_AEA.ed. numeric @attribute Eig09_EA.ed. numeric @attribute Eig11_AEA.ed. numeric @attribute Eig11_EA numeric @attribute Eig12_AEA.ed. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eta_betaS numeric @attribute MPC03 numeric @attribute Pol numeric @attribute SM04_AEA.ri. numeric @attribute SM05_AEA.dm. numeric @attribute SM07_AEA.dm. numeric @attribute SM09_AEA.dm. numeric @attribute SNar numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpMin7_Bh.s. numeric @attribute X3 numeric @attribute X3sol numeric @attribute X3v numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xt numeric @attribute Eig03_AEA.dm. numeric @attribute Eig06_AEA.ri. numeric @attribute Eig06_EA numeric @attribute Eig06_EA.ri. numeric @attribute Eig07_AEA.dm. numeric @attribute Eig09_AEA.bo. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.ri. numeric @attribute MPC06 numeric @attribute MPC09 numeric @attribute MWC05 numeric @attribute MWC06 numeric @attribute MWC07 numeric @attribute MWC08 numeric @attribute SM02_EA.ri. numeric @attribute SM04_EA.ri. numeric @attribute SM08_AEA.dm. numeric @attribute SM14_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpMax5_Bh.m. numeric @attribute X2sol numeric @attribute X4 numeric @attribute X4sol numeric @attribute X4v numeric @attribute GATS4v numeric @attribute ATS3s numeric @attribute ATS6m numeric @attribute Eig04_AEA.dm. numeric @attribute Eig05_AEA.dm. numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute ARR numeric @attribute C.017 numeric @attribute C.018 numeric @attribute C.027 numeric @attribute C.029 numeric @attribute C.032 numeric @attribute C.041 numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_07_DD numeric @attribute Eig01_EA.bo. numeric @attribute Eig01_EA.ri. numeric @attribute Eig02_AEA.dm. numeric @attribute Eig02_EA.dm. numeric @attribute Eig03_EA.dm. numeric @attribute Eig04_EA.dm. numeric @attribute Eig05_EA.dm. numeric @attribute Eig08_AEA.dm. numeric @attribute H.048 numeric @attribute H.049 numeric @attribute MATS1s numeric @attribute MATS2s numeric @attribute N.072 numeric @attribute N.075 numeric @attribute NaaN numeric @attribute NaasC numeric @attribute nArOH numeric @attribute nCconj numeric @attribute nCONN numeric @attribute nDB numeric @attribute NdssC numeric @attribute nN.CO.2 numeric @attribute nOHp numeric @attribute nPyrimidines numeric @attribute nR.Ct numeric @attribute nROH numeric @attribute nROR numeric @attribute NssNH numeric @attribute NsssN numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_s_5 numeric @attribute SaaN numeric @attribute SdssC numeric @attribute SM11_AEA.ri. numeric @attribute SM12_EA.bo. numeric @attribute SM13_EA.bo. numeric @attribute SM14_EA.bo. numeric @attribute SM15_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.ri. numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.ri. numeric @attribute SssNH numeric @attribute SsssN numeric @attribute ATS4m numeric @attribute ATS4s numeric @attribute ATS7m numeric @attribute ATS7s numeric @attribute SpMax5_Bh.e. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.s. numeric @attribute MATS1v numeric @attribute ATS8m 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.ri. numeric @attribute DBI numeric @attribute Eig04_AEA.ed. numeric @attribute Eig04_EA.ed. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig15_AEA.ed. numeric @attribute MPC01 numeric @attribute MWC01 numeric @attribute MWC02 numeric @attribute MWC03 numeric @attribute nBO numeric @attribute piPC01 numeric @attribute SCBO numeric @attribute SM02_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SMTIV numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SRW02 numeric @attribute SRW04 numeric @attribute TPC numeric @attribute ZM1 numeric @attribute ZM2 numeric @attribute MPC07 numeric @attribute MPC10 numeric @attribute nO numeric @attribute SpMin6_Bh.p. numeric @attribute Eta_L_A numeric @attribute SpMax5_Bh.p. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute CATS2D_07_AL numeric @attribute Eig11_EA.ri. numeric @attribute Eig12_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute GGI4 numeric @attribute SpMAD_EA numeric @attribute C.006 numeric @attribute Eig02_EA.bo. numeric @attribute MATS2e numeric @attribute NdsCH numeric @attribute SdsCH numeric @attribute SM09_EA.bo. numeric @attribute SM10_EA.bo. numeric @attribute SM11_EA.bo. numeric @attribute SM12_AEA.ri. numeric @attribute Neoplastic.50 numeric @attribute RBF numeric @attribute GATS7v numeric @attribute Chi1_EA.dm. numeric @attribute SssO numeric @attribute ATS1s numeric @attribute BBI numeric @attribute Dz numeric @attribute Eta_F numeric @attribute GGI10 numeric @attribute GGI6 numeric @attribute GGI8 numeric @attribute GMTIV numeric @attribute MPC02 numeric @attribute MWC04 numeric @attribute SM02_EA numeric @attribute SpAD_EA.ed. numeric @attribute SPI numeric @attribute SRW06 numeric @attribute X2 numeric @attribute CATS2D_06_AA numeric @attribute Eig08_AEA.bo. numeric @attribute Eig08_AEA.ed. numeric @attribute Eig08_EA.ed. numeric @attribute Eig10_AEA.ed. numeric @attribute Eig12_AEA.dm. numeric @attribute Eta_beta_A numeric @attribute Eta_betaP_A numeric @attribute NdO numeric @attribute PCR numeric @attribute SM03_AEA.ri. numeric @attribute ATSC7s numeric @attribute TIE numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATSC6m numeric @attribute SpMax7_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin8_Bh.m. numeric @attribute C.007 numeric @attribute Eig01_AEA.ri. numeric @attribute MATS1i numeric @attribute SM07_EA.ri. numeric @attribute SM08_EA.ri. numeric @attribute SM09_EA.ri. numeric @attribute SM10_EA.ri. numeric @attribute SM11_EA.ri. numeric @attribute SM12_EA.ri. numeric @attribute SM13_EA.ri. numeric @attribute SM14_EA.ri. numeric @attribute SM15_EA.ri. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMax_AEA.ri. numeric @attribute ATSC5v numeric @attribute Chi0_EA.dm. numeric @attribute MPC05 numeric @attribute MWC09 numeric @attribute MWC10 numeric @attribute TWC numeric @attribute ATS1m numeric @attribute ATSC7i numeric @attribute Eig07_AEA.ed. numeric @attribute MW numeric @attribute ZM1Mad numeric @attribute ZM2Mad numeric @attribute ATS3m numeric @attribute Eig11_EA.bo. numeric @attribute GATS1i numeric @attribute SM06_EA.ri. numeric @attribute SpMin8_Bh.s. numeric @attribute X5 numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute C.025 numeric @attribute Eta_betaP numeric @attribute MATS1p numeric @attribute MLOGP numeric @attribute MLOGP2 numeric @attribute nAB numeric @attribute nBM numeric @attribute nCar numeric @attribute PCD numeric @attribute Uc numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute GATS2e numeric @attribute SpMax6_Bh.i. numeric @attribute P_VSA_s_3 numeric @attribute CSI numeric @attribute DLS_04 numeric @attribute ECC numeric @attribute Eta_FL_A numeric @attribute ICR numeric @attribute LOC numeric @attribute nCsp3 numeric @attribute ON1V numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute ATSC6i numeric @attribute Eig03_AEA.ed. numeric @attribute Eig03_EA.ed. numeric @attribute Eig03_EA.ri. numeric @attribute SM12_AEA.dm. numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute Eig04_EA.ri. numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute ATS5p numeric @attribute DLS_05 numeric @attribute DLS_cons numeric @attribute GATS1v numeric @attribute IC2 numeric @attribute MATS3v numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.v. numeric @attribute DLS_03 numeric @attribute SpMin2_Bh.v. numeric @attribute ATS1e numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute pXC50 numeric @data {1 2.684,2 2.667,3 1.329,4 3.056,5 8.094,6 2.807,7 0.854,8 2.257,9 -0.395,10 2,11 -0.834,12 -0.989,13 -0.787,14 0.027,15 -0.347,16 -1.278,17 12.5,18 3.497,19 26,20 0.854,21 -0.395,22 -0.834,23 -1.278,24 13.811,25 30.973,26 28.272,27 0.134,28 6.353,29 6.353,30 2.889,31 3.929,32 1.183,33 0.269,34 2.568,35 2.339,36 1.414,37 1.3,38 1.259,39 1.613,40 0.124,41 -0.788,42 -1,43 -1.324,44 -0.952,45 3.807,46 3.871,47 7.022,48 7.864,49 8.691,50 9.536,51 3.901,52 5.295,53 -1,54 1.414,55 30.4,56 2.949,57 8.286,58 5.068,59 5.068,60 1.813,61 0.959,62 5.448,63 3.284,64 2.297,65 1.79,66 3.864,67 14.927,68 0.571,71 1,72 1,73 1,77 2,80 3.905,81 2.794,82 2.918,83 0.68,87 0.966,89 1,90 -0.134,91 0.213,93 2,94 2,95 5,96 2,103 1,110 2,113 33.571,114 12.196,115 37.905,116 130.709,119 49.52,121 7.194,123 3.905,124 16.786,125 18.017,126 19.44,127 20.717,128 3.08,129 5.108,130 6.905,131 4.794,132 3.905,133 2.794,136 3.41,137 5.583,138 3.189,139 5.319,140 3.122,141 1.541,142 0.703,143 0.011,144 2.863,145 10.359,146 10.359,147 10.359,148 10.359,149 10.359,150 10.958,151 2.739,152 4.868,153 5.504,154 1.492,155 1.374,156 3.091,157 3.091,158 4.575,159 5.371,160 21,161 3.332,162 27,163 4.511,164 5.504,165 6607,166 30.087,167 29.996,168 29.94,169 38.836,170 3.761,171 5.017,172 6.256,173 96,174 107,175 3.807,176 3.761,177 3,178 1.088,179 0.233,180 2.922,181 1.485,182 1.098,183 1.032,184 2,185 -0.376,186 0.793,187 -0.581,188 0.916,189 1.426,190 1,191 3.644,192 0.205,195 12.605,196 14.158,197 15.314,198 3.644,200 0.154,201 1.056,202 19.623,203 5.64,204 4.891,205 27,206 44,207 16.767,208 0.054,209 0.365,210 0.14,211 10535,212 3.332,213 6.205,214 4.007,215 79.177,216 9.795,217 6.466,218 8.286,220 1.787,221 3.02,222 1.227,223 2.359,224 -0.1,225 1.3,226 0.675,228 1.363,229 1.227,230 36.24,231 33.936,232 4.244,233 4.458,234 15.712,235 2.589,236 1.187,237 0.92,239 3.86,240 -0.121,241 7.511,242 8.766,243 9.541,244 10.67,245 11.559,246 12.628,247 13.577,248 14.616,249 15.597,250 4.929,251 0.147,252 3.86,253 8.385,254 15.496,255 3.871,256 10.368,257 11.214,258 11.778,259 3.241,260 0.698,261 3.474,262 274.35,263 107.912,264 117.474,265 3.525,266 -0.492,267 1.32,268 6.953,270 3.929,271 -4.01,272 -3.96,273 -3.75,274 2,275 13.5,276 -0.014,277 2.78,278 7.731,279 12,280 12,281 10,282 2.27,283 3.7,284 2.877,285 2.741,286 2.795,287 2.456,288 2.505,289 1.017,290 0.635,291 0.579,292 0.661,293 2.892,294 23.811,295 403,296 1,297 197,298 0.251,299 2.746,300 1.491,301 5,302 2.393,303 1.195,304 1.833,305 1.041,306 0.686,307 0.659,308 1.785,309 0.754,310 5.045,311 6.127,312 2.005,313 6.127,314 298.808,315 399.67,316 278,317 1.802,318 75.47,319 75.47,320 3.487,321 1,322 1,323 1.013,324 4.544,325 -0.019,326 3.65,327 3.718,328 3.508,329 3.489,330 1.659,331 1.595,332 1.841,333 1,334 1.905,335 3.726,336 3.198,337 4.216,338 5.071} {0 CHEMBL123683,1 2.817,2 2.85,3 1.421,4 3.146,5 9.303,6 2.913,7 0.953,8 2.592,9 -0.119,10 2.399,11 -0.521,12 -0.667,13 -0.525,14 0.439,15 0.057,16 -0.917,17 14.5,18 3.638,19 31,20 0.953,21 -0.119,22 -0.521,23 -0.917,24 14.909,25 34.383,26 31.327,27 0.151,28 7.242,29 7.242,30 3.079,31 4.5,32 1.349,33 0.259,34 2.959,35 2.469,36 1.546,37 1.403,38 1.759,39 1.614,40 0.428,41 -0.381,42 -0.772,43 -0.973,44 -0.713,45 4.025,46 4.094,47 7.166,48 8.02,49 8.867,50 9.725,51 4.025,52 5.491,53 -0.772,54 1.546,55 35.194,56 3.056,57 8.985,58 5.628,59 5.628,60 2.006,61 0.965,62 5.696,63 3.547,64 2.635,65 2.501,66 0.425,67 0.18,68 0.261,69 1,70 1,74 1,75 1,76 3,77 1,78 1,79 1,80 3.728,81 2.935,82 3.421,83 1.089,84 0.971,85 0.86,86 0.68,87 1.356,88 3,90 -0.083,91 -0.029,92 2,95 2,97 3,98 1,99 3,100 3,101 1,102 1,104 1,105 1,106 1,107 1,108 1,109 1,111 2,112 1,113 21.135,114 41.473,115 80.588,116 65.994,117 39.589,118 53.683,119 78.431,120 18.011,122 -0.524,123 3.728,124 16.311,125 17.503,126 18.875,127 20.107,128 11.501,129 5.252,130 6.728,131 4.935,132 3.728,133 2.935,134 2.261,135 1.257,136 3.627,137 5.839,138 3.503,139 5.744,140 3.204,141 1.573,142 0.662,143 -0.034,144 3.223,145 11.265,146 11.265,147 11.265,148 11.265,149 11.265,150 11.907,151 3,152 4.95,153 5.754,154 1.7,155 1.607,156 3.178,157 3.178,158 4.673,159 5.485,160 23,161 3.401,162 29,163 4.61,164 5.754,165 8861,166 33.158,167 32.767,168 32.869,169 40.565,170 3.85,171 5.118,172 6.446,173 106,174 120,175 4.043,176 4.007,177 5,178 1.335,179 0.225,180 2.944,181 1.544,182 1.155,183 1.085,184 6,185 -0.11,186 1,187 0.113,188 1.227,189 1.429,190 2,191 3.543,192 -0.017,193 1,194 1.47,195 12.294,196 13.77,197 14.9,198 3.543,199 1,200 0.171,201 0.993,202 23.546,203 10.248,204 4.987,205 30,206 50,207 20.027,208 0.037,209 0.487,210 0.197,211 15777,212 3.434,213 6.33,214 4.111,215 88.981,216 11.854,217 6.586,218 8.985,219 1,220 2.224,221 3.357,222 1.965,223 2.686,224 0.403,225 1.159,226 0.5,227 2,228 1.24,229 1.965,230 77.378,231 49.542,232 4.482,233 4.688,234 20.723,235 2.679,236 1.234,237 1.003,238 1,239 3.982,240 -0.26,241 7.935,242 9.148,243 10.027,244 11.148,245 12.117,246 13.2,247 14.215,248 15.283,249 16.322,250 5.053,251 0.5,252 3.982,253 9.219,254 19.671,255 4.043,256 10.577,257 11.437,258 11.989,259 3.357,260 0.747,261 3.506,262 306.35,263 122.37,264 135.571,265 3.716,266 -0.139,267 1.526,268 7.239,269 0.041,270 4.5,271 -2.07,272 -2.12,273 -2.11,274 1,275 11,276 -0.13,277 0.843,278 0.711,279 6,280 9,281 6,282 1.549,283 3.322,284 2.881,285 2.761,286 2.818,287 2.6,288 2.582,289 1.037,290 0.749,291 0.696,292 1.012,293 3.176,294 31.886,295 441,296 1,297 217,298 0.259,299 2.754,300 1.572,301 5,302 2.101,303 0.978,304 1.749,305 1.016,306 0.812,307 0.758,308 1.73,309 0.854,310 5.531,311 7.297,312 2.314,313 7.297,314 377.655,315 488.65,316 352,317 1.923,318 93.55,319 93.55,320 3.593,321 1,322 1,323 1.047,324 4.703,325 -0.143,326 3.549,327 3.589,328 3.299,329 3.315,330 1.47,331 1.422,332 1.74,333 1,334 1.893,335 3.796,336 3.235,337 4.318,338 5.73} {0 CHEMBL123742,1 2.789,2 2.766,3 1.341,4 3.102,5 8.881,6 2.903,7 0.95,8 2.402,9 -0.399,10 2,11 -0.524,12 -0.667,13 -0.526,14 0.068,15 -0.208,16 -1.197,17 13.75,18 3.584,19 29,20 0.95,21 -0.399,22 -0.524,23 -1.197,24 14.216,25 33.076,26 29.798,27 0.041,28 6.818,29 7.08,30 3.069,31 4.383,32 1.341,33 0.265,34 3.013,35 2.464,36 1.541,37 1.396,38 1.748,39 1.613,40 0.338,41 -0.504,42 -0.913,43 -1.132,44 -0.888,45 3.97,46 4.007,47 7.122,48 7.978,49 8.821,50 9.681,51 3.972,52 5.427,53 -0.913,54 1.541,55 34.101,56 3.117,57 9.224,58 5.414,59 5.683,60 2.084,61 0.847,62 5.664,63 3.588,64 2.654,65 2.508,66 1.105,67 1.222,68 0.273,69 1,70 1,74 1,75 1,76 3,77 1,78 1,79 1,80 3.716,81 2.932,82 3.421,83 1.089,84 0.971,85 0.68,86 0.429,87 1.336,88 3,90 -0.084,91 -0.017,92 2,95 2,97 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