@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL2278

@attribute molecule_id {CHEMBL170431,CHEMBL174067,CHEMBL176679,CHEMBL2115067,CHEMBL285910,CHEMBL291020,CHEMBL354193,CHEMBL35833,CHEMBL367666,CHEMBL369361,CHEMBL422734,CHEMBL426933,CHEMBL56112,CHEMBL56113,CHEMBL57496,CHEMBL57497,CHEMBL58383,CHEMBL59041,CHEMBL59211}
@attribute GATS4m numeric
@attribute GATS5v numeric
@attribute MATS3v numeric
@attribute MATS5p numeric
@attribute MATS4e numeric
@attribute ATSC2s numeric
@attribute ATSC3s numeric
@attribute GATS4e numeric
@attribute MATS4m numeric
@attribute MATS6i numeric
@attribute MATS8p numeric
@attribute MATS8v numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute Eig03_EA.dm. numeric
@attribute GATS3e numeric
@attribute GATS3s numeric
@attribute GATS4p numeric
@attribute GATS4v numeric
@attribute GATS6v numeric
@attribute MATS3e numeric
@attribute MATS3m numeric
@attribute MATS4s numeric
@attribute MATS5v numeric
@attribute MATS6m numeric
@attribute MATS6p numeric
@attribute MATS6v numeric
@attribute nCrs numeric
@attribute NdsCH numeric
@attribute nR.Cs numeric
@attribute nR.Ct numeric
@attribute P_VSA_MR_7 numeric
@attribute SdsCH numeric
@attribute SdssC numeric
@attribute SpMAD_AEA.dm. 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 pXC50 numeric

@data
{1 1.017,2 0.959,3 -0.007,4 0.009,5 0.108,6 24.761,7 88.561,8 0.998,9 -0.007,10 0.024,11 0.003,12 0.006,13 1,14 1,15 0.497,16 0.689,17 0.661,18 1.026,19 1.024,20 0.965,21 0.198,22 0.089,23 0.107,24 -0.011,25 -0.011,26 0.011,27 -0.003,28 4,29 1,30 1,31 1,32 9.476,33 1.641,34 0.37,35 1.393,36 1.291,37 15.192,38 3.814,39 14.544,40 106.541,41 5.547,43 4.229,44 4.373,45 3.473,46 3.656,47 5.13,48 3.578,49 4.838,50 5.055,51 3.732,52 4.063,53 5.644,54 3.926,55 6.921}
{0 CHEMBL174067,1 1.189,2 0.674,3 -0.152,4 0.212,5 -0.037,6 68.501,7 156.112,8 1.13,9 -0.153,10 0.395,16 0.876,17 0.904,18 0.804,19 0.997,20 0.237,21 0.125,22 0.029,23 -0.046,24 0.16,25 0.462,26 0.469,27 0.636,28 6,35 1.605,36 1.519,37 4,38 -2.298,39 5.279,40 32.265,41 7.722,43 3.243,44 3.308,45 2.769,46 2.542,47 4.443,48 2.612,49 3.758,50 3.854,51 3.106,52 2.927,53 4.922,54 2.97,55 5.959}
{0 CHEMBL176679,1 1.028,2 0.949,3 -0.012,4 0.01,5 0.09,6 28.39,7 89.796,8 1.019,9 -0.016,10 0.028,11 0.003,12 0.009,13 1,14 1,15 0.497,16 0.704,17 0.678,18 1.032,19 1.03,20 0.954,21 0.19,22 0.096,23 0.089,24 -0.014,25 -0.016,26 0.014,27 -0.003,28 4,29 1,30 1,31 1,32 9.476,33 1.632,34 0.367,35 1.415,36 1.346,37 12.045,38 1.989,39 3.955,40 88.137,41 5.737,43 4.045,44 4.184,45 3.316,46 3.455,47 4.997,48 3.391,49 4.641,50 4.85,51 3.594,52 3.86,53 5.503,54 3.743,55 7.155}
{0 CHEMBL2115067,1 1.043,2 0.951,3 -0.02,4 0.011,5 0.017,6 51.519,7 133.077,8 1.129,9 -0.021,10 0.028,11 0.012,12 0.019,13 1,14 1,15 0.765,16 0.803,17 0.796,18 1.014,19 1.011,20 0.928,21 0.126,22 0.062,23 0.004,25 0.017,26 0.038,27 0.038,28 4,29 1,30 1,31 1,32 9.476,33 1.481,34 0.056,35 1.471,36 1.43,37 14.176,38 2.077,39 4.314,40 131.13,41 6.299,42 0.171,43 4.382,44 4.512,45 3.746,46 3.826,47 5.417,48 3.781,49 4.956,50 5.143,51 4.062,52 4.232,53 5.926,54 4.144,55 6.155}
{0 CHEMBL285910,1 1.135,2 0.577,3 -0.16,4 0.239,5 -0.057,6 44.954,7 103.536,8 1.11,9 -0.122,10 0.426,16 0.955,17 1.007,18 0.776,19 0.942,20 0.303,21 0.054,22 -0.036,23 -0.034,24 0.223,25 0.197,26 0.465,27 0.469,28 6,35 1.559,36 1.485,37 3.9,38 -1.725,39 2.974,40 31.168,41 7.308,43 3.177,44 3.254,45 2.68,46 2.522,47 4.292,48 2.564,49 3.708,50 3.828,51 2.978,52 2.897,53 4.791,54 2.902,55 4.009}
{0 CHEMBL291020,1 1.189,2 0.674,3 -0.152,4 0.212,5 -0.037,6 68.501,7 156.112,8 1.13,9 -0.153,10 0.395,16 0.876,17 0.904,18 0.804,19 0.997,20 0.237,21 0.125,22 0.029,23 -0.046,24 0.16,25 0.462,26 0.469,27 0.636,28 6,35 1.605,36 1.519,37 4,38 -2.298,39 5.279,40 32.265,41 7.722,43 3.243,44 3.308,45 2.769,46 2.542,47 4.443,48 2.612,49 3.758,50 3.854,51 3.106,52 2.927,53 4.922,54 2.97,55 5.051}
{0 CHEMBL354193,1 1.048,2 0.932,3 -0.022,4 0.013,5 0.058,6 33.953,7 91.742,8 1.056,9 -0.035,10 0.033,11 -0.017,12 -0.015,13 1,14 1,15 0.497,16 0.731,17 0.707,18 1.041,19 1.041,20 0.934,21 0.173,22 0.1,23 0.057,24 -0.017,25 -0.029,26 0.018,27 -0.003,28 4,29 1,30 1,31 1,32 9.476,33 1.613,34 0.36,35 1.446,36 1.422,37 8.833,38 0.164,39 0.027,40 69.733,41 6.032,43 3.819,44 3.951,45 3.131,46 3.203,47 4.844,48 3.161,49 4.395,50 4.59,51 3.435,52 3.605,53 5.34,54 3.518,55 6.523}
{0 CHEMBL35833,1 1.135,2 0.605,3 -0.16,4 0.26,5 0.015,6 45.371,7 111.537,8 1.11,9 -0.104,10 0.422,16 0.955,17 0.94,18 0.776,19 0.942,21 0.054,22 -0.036,23 -0.028,24 0.201,25 0.954,26 0.53,27 0.908,28 6,35 1.584,36 1.485,37 3.7,38 -1.725,39 2.974,40 31.168,41 7.308,43 3.177,44 3.254,45 2.68,46 2.522,47 4.292,48 2.564,49 3.708,50 3.828,51 2.978,52 2.897,53 4.788,54 2.902,55 6.018}
{0 CHEMBL367666,1 1.065,2 0.903,3 -0.032,4 0.047,5 0.03,6 38.933,7 93.321,8 1.085,9 -0.054,10 0.031,11 -0.042,12 -0.044,13 1,14 1,15 0.497,16 0.755,17 0.732,18 1.049,19 1.05,20 0.978,21 0.157,22 0.097,23 0.033,24 -0.003,25 -0.058,26 0.003,27 -0.03,28 4,29 1,30 1,31 1,32 9.476,33 1.595,34 0.354,35 1.467,36 1.472,37 7.188,38 -0.748,39 0.56,40 60.531,41 6.252,43 3.684,44 3.81,45 3.023,46 3.049,47 4.758,48 3.022,49 4.244,50 4.43,51 3.344,52 3.448,53 5.247,54 3.383,55 4.959}
{0 CHEMBL369361,1 1.006,2 0.972,3 0.003,4 0.01,5 0.083,6 42.81,7 127.486,8 1.035,9 0.016,10 0.012,11 0.002,12 0.013,13 3,14 1,15 0.765,16 0.758,17 0.748,18 1.01,19 1.003,20 0.974,21 0.158,22 0.068,23 0.062,24 0.006,25 0.017,26 0.015,27 0.016,28 4,29 3,30 3,31 1,32 28.429,33 5.256,34 0.115,35 1.385,36 1.261,37 23.878,38 9.724,39 94.562,40 204.172,41 5.474,43 4.851,44 5.001,45 4.084,46 4.299,47 5.721,48 4.21,49 5.471,50 5.695,51 4.331,52 4.702,53 6.254,54 4.55,55 6.523}
{0 CHEMBL422734,1 1.036,2 0.942,3 -0.016,4 0.012,5 0.077,6 31.033,7 90.869,8 1.035,9 -0.024,10 0.03,11 0.003,12 0.011,13 1,14 1,15 0.497,16 0.715,17 0.69,18 1.036,19 1.035,20 0.946,21 0.183,22 0.099,23 0.075,24 -0.015,25 -0.021,26 0.016,27 -0.003,28 4,29 1,30 1,31 1,32 9.476,33 1.624,34 0.364,35 1.429,36 1.38,37 10.45,38 1.076,39 1.159,40 78.935,41 5.866,43 3.938,44 4.074,45 3.228,46 3.337,47 4.923,48 3.283,49 4.525,50 4.728,51 3.518,52 3.741,53 5.425,54 3.637,55 7.523}
{0 CHEMBL426933,1 1.011,2 0.966,3 -0.004,4 0.007,5 0.119,6 24.47,7 90.263,8 0.983,9 -0.002,10 0.021,11 0.002,12 0.005,13 1,14 1,15 0.497,16 0.681,17 0.651,18 1.022,19 1.02,20 0.971,21 0.202,22 0.082,23 0.119,24 -0.01,25 -0.008,26 0.009,27 -0.003,28 4,29 1,30 1,31 1,32 9.476,33 1.647,34 0.372,35 1.377,36 1.25,37 18.3,38 5.638,39 31.792,40 124.945,41 5.415,43 4.384,44 4.532,45 3.608,46 3.823,47 5.247,48 3.736,49 5.003,50 5.226,51 3.853,52 4.231,53 5.767,54 4.081,55 6.523}
{0 CHEMBL56112,1 1.058,2 0.931,3 -0.026,4 0.027,5 -0.003,6 52.843,7 137.012,8 1.194,9 -0.028,10 0.032,11 0.001,12 0.003,15 0.4,16 0.841,17 0.838,18 0.983,19 0.993,20 0.926,21 0.109,22 0.045,23 -0.013,24 0.016,25 0.021,26 0.039,27 0.041,28 5,34 -0.136,35 1.476,36 1.414,37 14.176,38 1.995,39 3.981,40 130.566,41 6.163,42 0.171,43 4.405,44 4.538,45 3.75,46 3.843,47 5.414,48 3.793,49 4.994,50 5.186,51 4.069,52 4.261,53 5.92,54 4.165,55 5.301}
{0 CHEMBL56113,1 1.058,2 0.931,3 -0.026,4 0.027,5 -0.003,6 52.843,7 137.012,8 1.194,9 -0.028,10 0.032,11 0.001,12 0.003,15 0.4,16 0.841,17 0.838,18 0.983,19 0.993,20 0.926,21 0.109,22 0.045,23 -0.013,24 0.016,25 0.021,26 0.039,27 0.041,28 5,34 -0.136,35 1.476,36 1.414,37 14.176,38 1.995,39 3.981,40 130.566,41 6.163,42 0.171,43 4.405,44 4.538,45 3.75,46 3.843,47 5.414,48 3.793,49 4.994,50 5.186,51 4.069,52 4.261,53 5.92,54 4.165,55 4.699}
{0 CHEMBL57496,1 1.043,2 0.951,3 -0.02,4 0.011,5 0.017,6 51.519,7 133.077,8 1.129,9 -0.021,10 0.028,11 0.012,12 0.019,13 1,14 1,15 0.765,16 0.803,17 0.796,18 1.014,19 1.011,20 0.928,21 0.126,22 0.062,23 0.004,25 0.017,26 0.038,27 0.038,28 4,29 1,30 1,31 1,32 9.476,33 1.481,34 0.056,35 1.471,36 1.43,37 14.176,38 2.077,39 4.314,40 131.13,41 6.299,42 0.171,43 4.382,44 4.512,45 3.746,46 3.826,47 5.417,48 3.781,49 4.956,50 5.143,51 4.062,52 4.232,53 5.926,54 4.144,55 6.155}
{0 CHEMBL57497,1 1.043,2 0.951,3 -0.02,4 0.011,5 0.017,6 51.519,7 133.077,8 1.129,9 -0.021,10 0.028,11 0.012,12 0.019,13 1,14 1,15 0.765,16 0.803,17 0.796,18 1.014,19 1.011,20 0.928,21 0.126,22 0.062,23 0.004,25 0.017,26 0.038,27 0.038,28 4,29 1,30 1,31 1,32 9.476,33 1.481,34 0.056,35 1.471,36 1.43,37 14.176,38 2.077,39 4.314,40 131.13,41 6.299,42 0.171,43 4.382,44 4.512,45 3.746,46 3.826,47 5.417,48 3.781,49 4.956,50 5.143,51 4.062,52 4.232,53 5.926,54 4.144,55 6.301}
{0 CHEMBL58383,1 1.058,2 0.931,3 -0.026,4 0.027,5 -0.003,6 52.843,7 137.012,8 1.194,9 -0.028,10 0.032,11 0.001,12 0.003,15 0.4,16 0.841,17 0.838,18 0.983,19 0.993,20 0.926,21 0.109,22 0.045,23 -0.013,24 0.016,25 0.021,26 0.039,27 0.041,28 5,34 -0.136,35 1.476,36 1.414,37 14.176,38 1.995,39 3.981,40 130.566,41 6.163,42 0.171,43 4.405,44 4.538,45 3.75,46 3.843,47 5.414,48 3.793,49 4.994,50 5.186,51 4.069,52 4.261,53 5.92,54 4.165,55 5.155}
{0 CHEMBL59041,1 1.043,2 0.951,3 -0.02,4 0.011,5 0.017,6 51.519,7 133.077,8 1.129,9 -0.021,10 0.028,11 0.012,12 0.019,13 1,14 1,15 0.765,16 0.803,17 0.796,18 1.014,19 1.011,20 0.928,21 0.126,22 0.062,23 0.004,25 0.017,26 0.038,27 0.038,28 4,29 1,30 1,31 1,32 9.476,33 1.481,34 0.056,35 1.471,36 1.43,37 14.176,38 2.077,39 4.314,40 131.13,41 6.299,42 0.171,43 4.382,44 4.512,45 3.746,46 3.826,47 5.417,48 3.781,49 4.956,50 5.143,51 4.062,52 4.232,53 5.926,54 4.144,55 6.523}
{0 CHEMBL59211,1 1.058,2 0.931,3 -0.026,4 0.027,5 -0.003,6 52.843,7 137.012,8 1.194,9 -0.028,10 0.032,11 0.001,12 0.003,15 0.4,16 0.841,17 0.838,18 0.983,19 0.993,20 0.926,21 0.109,22 0.045,23 -0.013,24 0.016,25 0.021,26 0.039,27 0.041,28 5,34 -0.136,35 1.476,36 1.414,37 14.176,38 1.995,39 3.981,40 130.566,41 6.163,42 0.171,43 4.405,44 4.538,45 3.75,46 3.843,47 5.414,48 3.793,49 4.994,50 5.186,51 4.069,52 4.261,53 5.92,54 4.165,55 5}