@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1795118

@attribute molecule_id {CHEMBL1089088,CHEMBL1089316,CHEMBL2169918,CHEMBL2171169,CHEMBL2171170,CHEMBL2171171,CHEMBL2171172,CHEMBL2171174,CHEMBL2172426,CHEMBL2172427,CHEMBL2204995,CHEMBL2204997,CHEMBL2204998,CHEMBL331627,CHEMBL418052,CHEMBL499593}
@attribute GATS2s numeric
@attribute GATS4s numeric
@attribute GATS7i numeric
@attribute JGI2 numeric
@attribute JGI3 numeric
@attribute JGI4 numeric
@attribute MATS1i numeric
@attribute SpMAD_AEA.dm. numeric
@attribute SpMAD_AEA.ed. numeric
@attribute GATS2m numeric
@attribute PW4 numeric
@attribute SpDiam_AEA.ri. numeric
@attribute GATS4m numeric
@attribute X3Av numeric
@attribute X5Av numeric
@attribute GATS2p numeric
@attribute SssCH2 numeric
@attribute AECC numeric
@attribute HVcpx numeric
@attribute MATS4m numeric
@attribute MSD numeric
@attribute PW3 numeric
@attribute S2K numeric
@attribute Uindex numeric
@attribute DECC numeric
@attribute MATS6s numeric
@attribute C.006 numeric
@attribute Eig01_AEA.dm. numeric
@attribute Eig01_EA.dm. numeric
@attribute Eig02_AEA.dm. numeric
@attribute Eig02_EA.dm. numeric
@attribute Eig03_AEA.dm. numeric
@attribute Eig03_EA.dm. numeric
@attribute Eta_epsi_A numeric
@attribute GATS8s numeric
@attribute H. numeric
@attribute H.052 numeric
@attribute IC3 numeric
@attribute JGI8 numeric
@attribute MATS1p numeric
@attribute MATS5e numeric
@attribute Mv numeric
@attribute N.068 numeric
@attribute nN numeric
@attribute nRNR2 numeric
@attribute nS numeric
@attribute NssS numeric
@attribute P_VSA_LogP_2 numeric
@attribute P_VSA_LogP_5 numeric
@attribute P_VSA_m_4 numeric
@attribute S.107 numeric
@attribute SM02_EA.dm. numeric
@attribute SM04_EA.dm. numeric
@attribute SM06_EA.dm. numeric
@attribute SM08_EA.dm. numeric
@attribute SM10_EA.dm. numeric
@attribute SM12_EA.dm. numeric
@attribute SM14_EA.dm. numeric
@attribute SpAD_EA.dm. numeric
@attribute SpDiam_AEA.dm. numeric
@attribute pXC50 numeric

@data
{1 0.585,2 1.187,3 1.092,4 0.116,5 0.076,6 0.059,7 -0.169,8 1.775,9 1.791,10 1.068,11 0.231,12 5.866,13 1.04,14 0.114,15 0.032,16 1.087,17 -0.123,18 7.308,19 2.845,20 -0.11,21 4.668,22 0.402,23 6.896,24 43.638,25 1.024,26 -0.054,27 1,28 5.092,29 3.638,30 4.863,31 3.592,32 3.722,33 2.454,34 0.624,35 0.826,36 45.8,38 4.897,39 0.015,40 0.021,41 -0.118,42 0.63,44 2,46 2,47 2,48 8.783,49 14.185,50 64.439,51 2,52 4.327,53 6.549,54 8.995,55 11.498,56 14.019,57 16.548,58 19.082,59 31.793,60 6.93,61 5}
{0 CHEMBL1089316,1 0.6,2 1.114,3 0.946,4 0.123,5 0.071,6 0.058,7 -0.063,8 1.781,9 1.81,10 0.672,11 0.254,12 6.355,13 1.167,14 0.115,15 0.037,16 0.699,17 -0.625,18 9.957,19 3.164,20 -0.194,21 5.974,22 0.433,23 8.684,24 51.485,25 1.183,26 0.01,27 2,28 5.072,29 2.651,30 5.058,31 2.651,32 4.611,33 2.462,34 0.658,35 1.126,36 37.8,38 4.865,39 0.015,40 0.172,41 -0.038,42 0.689,44 6,46 4,47 4,48 17.566,49 11.885,50 120.727,51 4,52 4.038,53 5.514,54 7.232,55 9.04,56 10.892,57 12.77,58 14.663,59 32.853,60 7.072,61 6.097}
{0 CHEMBL2169918,1 0.695,2 1.041,3 1.041,4 0.081,5 0.046,6 0.031,7 -0.221,8 1.522,9 1.547,10 0.867,11 0.173,12 5.344,13 0.439,14 0.095,15 0.029,16 0.974,17 4.079,18 15.108,19 3.854,20 0.021,21 8.692,22 0.339,23 13.235,24 64.892,25 2.555,26 -0.021,27 5,28 3.727,29 2.374,30 3.59,31 1.041,32 3.167,33 0.8,34 0.607,35 1.297,36 46.4,37 4,38 5.692,39 0.01,40 -0.006,41 -0.016,42 0.622,43 1,44 7,45 1,48 47.398,49 18.972,52 2.646,53 3.77,54 5.303,55 6.965,56 8.667,57 10.384,58 12.108,59 10.063,60 5.727,61 4}
{0 CHEMBL2171169,1 0.693,2 0.87,3 0.956,4 0.091,5 0.057,6 0.039,7 -0.263,8 1.564,9 1.581,10 0.859,11 0.169,12 5.429,13 0.956,14 0.091,15 0.026,16 1.013,17 2.258,18 16.564,19 3.951,20 0.023,21 9.797,22 0.342,23 12.251,24 70.946,25 2.55,26 0.006,27 3,28 3.591,29 1.656,30 3.555,31 1.041,32 3.528,33 0.8,34 0.577,35 1.447,36 50.6,37 6,38 5.408,39 0.01,40 -0.066,41 0.022,42 0.588,43 1,44 8,45 1,48 44.873,49 21.728,52 2.189,53 2.639,54 3.348,55 4.2,56 5.13,57 6.098,58 7.086,59 7.488,60 5.591,61 4}
{0 CHEMBL2171170,1 0.725,2 0.906,3 0.971,4 0.09,5 0.055,6 0.038,7 -0.316,8 1.554,9 1.576,10 0.875,11 0.173,12 5.429,13 0.964,14 0.091,15 0.026,16 0.978,17 2.294,18 17.1,19 3.993,20 0.02,21 9.974,22 0.344,23 12.896,24 73.805,25 2.655,26 -0.012,27 3,28 3.591,29 1.656,30 3.555,31 1.041,32 3.528,33 0.8,34 0.572,35 1.485,36 51.2,37 6,38 5.461,39 0.01,40 -0.099,41 0.015,42 0.585,43 1,44 8,45 1,48 44.873,49 21.728,52 2.224,53 2.643,54 3.348,55 4.2,56 5.13,57 6.098,58 7.086,59 8.288,60 5.591,61 4}
{0 CHEMBL2171171,1 0.732,2 0.904,3 0.994,4 0.087,5 0.054,6 0.036,7 -0.294,8 1.543,9 1.562,10 0.898,11 0.17,12 5.429,13 0.949,14 0.091,15 0.025,16 1.022,17 2.779,18 18.214,19 4.078,20 0.04,21 10.412,22 0.335,23 14.041,24 79.657,25 2.939,26 -0.006,27 4,28 3.591,29 1.656,30 3.555,31 1.041,32 3.528,33 0.8,34 0.568,35 1.471,36 51.2,37 6,38 5.58,39 0.01,40 -0.091,41 0.018,42 0.587,43 1,44 8,45 1,48 62.746,49 21.728,52 2.281,53 2.665,54 3.353,55 4.201,56 5.13,57 6.098,58 7.086,59 8.803,60 5.591,61 4}
{0 CHEMBL2171172,1 0.734,2 0.921,3 1.017,4 0.081,5 0.048,6 0.035,7 -0.235,8 1.543,9 1.544,10 0.905,11 0.17,12 5.429,13 0.967,14 0.092,15 0.026,16 1.008,17 2.828,18 19.717,19 4.191,20 0.028,21 11.262,22 0.336,23 14.987,24 79.818,25 3.283,26 -0.001,27 4,28 3.591,29 1.656,30 3.555,31 1.041,32 3.528,33 0.8,34 0.568,35 1.49,36 50,37 6,38 5.594,39 0.01,40 -0.06,41 0.022,42 0.598,43 1,44 8,45 1,48 46.979,49 24.914,52 2.281,53 2.665,54 3.353,55 4.201,56 5.13,57 6.098,58 7.086,59 8.803,60 5.591,61 4}
{0 CHEMBL2171174,1 0.707,2 1.16,3 1.024,4 0.098,5 0.056,6 0.039,7 -0.233,8 1.635,9 1.592,10 1.128,11 0.177,12 5.359,13 1.113,14 0.098,15 0.032,16 1.228,17 1.211,18 11.519,19 3.472,20 -0.052,21 6.812,22 0.358,23 8.684,24 47.17,25 1.981,26 -0.021,27 2,28 4.231,29 2.95,30 3.725,31 2.374,32 3.565,33 1.041,34 0.653,35 1.024,36 44.9,38 5.314,39 0.013,40 0.037,41 -0.05,42 0.614,44 6,46 1,47 1,48 37.231,49 12.662,50 32.22,51 1,52 3.401,53 5.268,54 7.326,55 9.436,56 11.568,57 13.711,58 15.862,59 13.848,60 6.231,61 4}
{0 CHEMBL2172426,1 0.493,2 1.34,3 0.939,4 0.125,5 0.07,6 0.06,7 -0.096,8 1.796,9 1.797,10 0.628,11 0.245,12 6.354,13 1.185,14 0.12,15 0.038,16 0.685,17 0.697,18 8.818,19 3.058,20 -0.229,21 5.732,22 0.427,23 7.878,24 48.361,25 1.124,26 0.018,28 5.063,29 2.651,30 5.048,31 2.651,32 4.594,33 2.462,34 0.635,35 1.274,36 38.9,38 4.739,39 0.016,40 0.136,41 -0.032,42 0.688,44 6,46 4,47 4,48 17.566,49 11.885,50 120.727,51 4,52 4.038,53 5.514,54 7.232,55 9.04,56 10.892,57 12.77,58 14.663,59 32.853,60 7.063,61 6.276}
{0 CHEMBL2172427,1 0.688,2 1.04,3 0.992,4 0.092,5 0.055,6 0.034,7 -0.34,8 1.528,9 1.584,10 0.857,11 0.178,12 5.343,13 0.429,14 0.094,15 0.029,16 0.941,17 3.569,18 12.323,19 3.583,20 0.017,21 7.286,22 0.35,23 11.129,24 58.205,25 1.946,26 -0.026,27 4,28 3.727,29 2.374,30 3.59,31 1.041,32 3.158,33 0.8,34 0.618,35 1.303,36 47.5,37 4,38 5.531,39 0.011,40 -0.024,41 -0.025,42 0.607,43 1,44 7,45 1,48 45.292,49 15.786,52 2.607,53 3.763,54 5.303,55 6.964,56 8.667,57 10.384,58 12.108,59 9.548,60 5.727,61 4}
{0 CHEMBL2204995,1 0.511,2 1.105,3 1.044,4 0.085,5 0.042,6 0.037,7 -0.189,8 1.566,9 1.581,10 0.842,11 0.191,12 5.323,13 0.968,14 0.09,15 0.026,16 0.891,17 5.725,18 13.65,19 3.698,20 0.012,21 8.086,22 0.346,23 12.054,24 63.569,25 2.182,26 0.188,27 5,28 3.676,29 1.081,30 3.593,31 1.081,32 3.193,33 0.8,34 0.557,35 1.425,36 49.4,37 9,38 5.572,39 0.011,40 -0.069,41 0.013,42 0.608,43 1,44 7,45 1,48 51.619,49 44.621,52 2.139,53 2.026,54 2.075,55 2.175,56 2.296,57 2.427,58 2.564,59 9.415,60 5.676,61 4}
{0 CHEMBL2204997,1 0.514,2 1.116,3 0.959,4 0.088,5 0.042,6 0.036,7 -0.189,8 1.564,9 1.581,10 0.842,11 0.19,12 5.322,13 0.982,14 0.09,15 0.026,16 0.891,17 5.816,18 14.45,19 3.752,20 0.001,21 8.425,22 0.347,23 12.054,24 63.701,25 2.345,26 0.216,27 5,28 3.676,29 1.081,30 3.593,31 1.081,32 3.186,33 0.8,34 0.557,35 1.587,36 49.4,37 9,38 5.572,39 0.01,40 -0.069,41 0.006,42 0.608,43 1,44 7,45 1,48 51.619,49 44.621,52 2.139,53 2.026,54 2.075,55 2.175,56 2.296,57 2.427,58 2.564,59 9.415,60 5.676,61 4}
{0 CHEMBL2204998,1 0.513,2 1.104,3 1.034,4 0.091,5 0.044,6 0.036,7 -0.2,8 1.58,9 1.591,10 0.809,11 0.186,12 5.322,13 1.005,14 0.089,15 0.025,16 0.841,17 4.092,18 14.237,19 3.712,20 -0.024,21 8.152,22 0.35,23 10.817,24 58.935,25 2.222,26 0.279,27 5,28 3.671,29 1.081,30 3.592,31 1.081,32 3.186,33 0.8,34 0.568,35 1.44,36 47.9,37 9,38 5.453,39 0.01,40 -0.073,41 -0.023,42 0.616,43 1,44 7,45 1,48 46.55,49 44.621,52 2.139,53 2.026,54 2.075,55 2.175,56 2.296,57 2.427,58 2.564,59 9.415,60 5.671,61 4}
{0 CHEMBL331627,1 0.663,2 1.242,3 0.874,4 0.122,5 0.074,6 0.07,7 -0.066,8 1.761,9 1.794,10 0.703,11 0.239,12 5.995,13 1.258,14 0.128,15 0.045,16 0.755,17 -0.011,18 6.095,19 2.603,20 -0.18,21 3.835,22 0.423,23 4.22,24 27.583,25 0.794,26 0.031,27 1,28 5.061,29 2.651,30 4.584,31 2.462,32 3.576,33 1.404,34 0.666,35 0.949,36 40,38 4.822,39 0.02,40 0.193,41 -0.094,42 0.67,44 2,46 2,47 2,48 8.783,49 3.186,50 60.363,51 2,52 3.429,53 4.838,54 6.542,55 8.348,56 10.2,57 12.078,58 13.971,59 18.55,60 6.899,61 6.585}
{0 CHEMBL418052,1 0.692,2 1.131,3 1.001,4 0.1,5 0.059,6 0.041,7 -0.146,8 1.658,9 1.6,10 1.133,11 0.172,12 5.355,13 1.115,14 0.097,15 0.032,16 1.298,17 1.181,18 11,19 3.416,20 -0.046,21 6.628,22 0.356,23 8.039,24 44.545,25 1.846,26 -0.004,27 2,28 4.231,29 2.95,30 3.725,31 2.374,32 3.564,33 1.041,34 0.667,35 1.053,36 43.5,38 5.263,39 0.012,40 0.093,41 -0.041,42 0.621,44 6,46 1,47 1,48 37.231,49 12.662,50 32.22,51 1,52 3.39,53 5.268,54 7.326,55 9.436,56 11.568,57 13.711,58 15.862,59 13.048,60 6.231,61 5.31}
{0 CHEMBL499593,1 0.623,2 1.23,3 0.864,4 0.122,5 0.07,6 0.055,7 -0.127,8 1.756,9 1.78,10 0.684,11 0.241,12 6.125,13 1.298,14 0.119,15 0.039,16 0.695,17 -0.517,18 12.319,19 3.485,20 -0.244,21 7.128,22 0.427,23 9.812,24 56.75,25 1.589,26 0.021,27 2,28 5.064,29 2.651,30 5.049,31 2.65,32 4.592,33 2.462,34 0.649,35 0.818,36 39,38 5.315,39 0.014,40 0.142,41 -0.031,42 0.682,44 6,46 4,47 4,48 17.566,49 13.6,50 120.727,51 4,52 4.036,53 5.513,54 7.231,55 9.039,56 10.892,57 12.769,58 14.663,59 32.858,60 7.064,61 7.18}