@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1795119

@attribute molecule_id {CHEMBL12131,CHEMBL1801794,CHEMBL1801795,CHEMBL1801802,CHEMBL237819,CHEMBL391125,CHEMBL395873,CHEMBL482487,CHEMBL484912,CHEMBL97945}
@attribute GATS3m numeric
@attribute GATS3p numeric
@attribute GATS4p numeric
@attribute GATS4s numeric
@attribute MATS1e numeric
@attribute MATS1s 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 pXC50 numeric

@data
{1 0.944,2 1.008,3 0.635,4 0.985,5 -0.083,6 -0.07,7 1.836,8 11.633,9 6.727,10 45.254,11 135.43,12 15.07,13 0.563,14 3.878,15 3.95,16 4.068,17 3.697,18 5.145,19 3.6,20 4.337,21 4.434,22 4.579,23 4.131,24 5.572,25 3.993,26 4.628,27 4.74,28 4.812,29 4.322,30 5.922,31 4.156,32 4.73,33 4.882,34 5.385,35 4.376,36 6.103,37 4.135,38 4.676,39 4.843,40 4.855,41 4.152,42 6.077,43 4.039,44 4.587,45 4.733,46 4.399,47 4.12,48 5.938,49 3.957,50 4.476,51 4.631,52 4.538,53 5.796}
{0 CHEMBL1801794,1 1.061,2 1.089,3 0.766,4 1.252,5 -0.137,6 -0.147,7 1.834,8 8.053,9 4.082,10 16.662,11 98.231,12 21.886,13 0.6,14 3.401,15 3.467,16 3.94,17 3.331,18 4.655,19 3.164,20 3.811,21 3.887,22 4.497,23 3.772,24 5.104,25 3.538,26 4.076,27 4.189,28 4.686,29 3.92,30 5.391,31 3.624,32 4.024,33 4.163,34 5.25,35 3.876,36 5.494,37 3.466,38 3.843,39 3.987,40 4.585,41 3.374,42 5.305,43 3.222,44 3.61,45 3.723,46 3.942,47 3.428,48 4.888,49 3.136,50 3.568,51 3.693,52 4.381,53 6.201}
{0 CHEMBL1801795,1 0.914,2 0.968,3 0.596,4 0.986,5 -0.093,6 -0.123,7 1.653,8 8.905,9 4.698,10 22.07,11 100.014,12 14.087,13 0.545,14 3.653,15 3.751,16 3.794,17 3.421,18 4.808,19 3.293,20 4.127,21 4.27,22 4.309,23 3.843,24 5.257,25 3.664,26 4.399,27 4.564,28 4.531,29 4.007,30 5.571,31 3.787,32 4.462,33 4.666,34 5.22,35 4.044,36 5.715,37 3.704,38 4.345,39 4.574,40 4.504,41 3.649,42 5.536,43 3.469,44 4.037,45 4.254,46 3.788,47 3.512,48 5.107,49 3.274,50 3.865,51 4.039,52 4.102,53 5.796}
{0 CHEMBL1801802,1 1.044,2 1.095,3 0.805,4 1.189,5 -0.125,6 -0.145,7 1.789,8 8.8,9 3.828,10 14.651,11 82.716,12 12.937,13 0.571,14 3.549,15 3.622,16 3.582,17 3.193,18 4.808,19 3.166,20 3.987,21 4.087,22 4.042,23 3.556,24 5.256,25 3.505,26 4.194,27 4.302,28 4.231,29 3.666,30 5.523,31 3.597,32 4.213,33 4.354,34 4.596,35 3.604,36 5.637,37 3.488,38 4.128,39 4.312,40 4.157,41 3.353,42 5.507,43 3.289,44 3.864,45 4.031,46 3.531,47 3.25,48 5.052,49 3.139,50 3.739,51 3.875,52 3.786,53 5.26}
{0 CHEMBL237819,1 1.03,2 1.072,3 0.689,4 1.255,5 -0.129,6 -0.147,7 1.936,8 8.053,9 4.168,10 17.373,11 90.628,12 18.499,13 0.6,14 3.41,15 3.474,16 3.78,17 3.265,18 4.686,19 3.143,20 3.822,21 3.896,22 4.311,23 3.686,24 5.151,25 3.509,26 4.093,27 4.204,28 4.521,29 3.817,30 5.444,31 3.59,32 4.037,33 4.175,34 5.202,35 3.808,36 5.524,37 3.442,38 3.85,39 3.992,40 4.49,41 3.335,42 5.329,43 3.207,44 3.623,45 3.734,46 3.768,47 3.344,48 4.927,49 3.109,50 3.585,51 3.706,52 4.13,53 5.237}
{0 CHEMBL391125,1 1.053,2 1.083,3 0.712,4 1.261,5 -0.138,6 -0.149,7 1.936,8 8.053,9 4.252,10 18.08,11 93.446,12 20.145,13 0.6,14 3.407,15 3.471,16 3.861,17 3.283,18 4.665,19 3.151,20 3.818,21 3.892,22 4.405,23 3.71,24 5.119,25 3.521,26 4.087,27 4.197,28 4.604,29 3.846,30 5.408,31 3.604,32 4.032,33 4.17,34 5.226,35 3.827,36 5.504,37 3.452,38 3.847,39 3.99,40 4.538,41 3.346,42 5.312,43 3.214,44 3.618,45 3.729,46 3.856,47 3.368,48 4.901,49 3.12,50 3.579,51 3.7,52 4.26,53 6.167}
{0 CHEMBL395873,1 1.018,2 1.039,3 0.654,4 1.136,5 -0.102,6 -0.109,7 1.936,8 8.053,9 3.709,10 13.758,11 86.04,12 17.89,13 0.6,14 3.416,15 3.486,16 3.748,17 3.229,18 4.744,19 3.123,20 3.83,21 3.912,22 4.273,23 3.638,24 5.237,25 3.482,26 4.105,27 4.229,28 4.488,29 3.759,30 5.54,31 3.559,32 4.047,33 4.195,34 5.193,35 3.771,36 5.579,37 3.42,38 3.854,39 4.002,40 4.472,41 3.314,42 5.375,43 3.194,44 3.633,45 3.755,46 3.733,47 3.298,48 5,49 3.084,50 3.597,51 3.727,52 4.077,53 6.056}
{0 CHEMBL482487,1 0.998,2 1.05,3 0.619,4 1.102,5 -0.114,6 -0.138,7 1.728,8 8.053,9 3.99,10 15.919,11 90.864,12 15.969,13 0.6,14 3.491,15 3.576,16 3.74,17 3.299,18 4.709,19 3.172,20 3.925,21 4.041,22 4.261,23 3.713,24 5.148,25 3.533,26 4.167,27 4.297,28 4.479,29 3.852,30 5.441,31 3.627,32 4.203,33 4.388,34 5.193,35 3.867,36 5.564,37 3.5,38 4.004,39 4.195,40 4.468,41 3.399,42 5.356,43 3.252,44 3.695,45 3.833,46 3.725,47 3.358,48 4.941,49 3.13,50 3.712,51 3.878,52 4.058,53 5.77}
{0 CHEMBL484912,1 1.048,2 1.066,3 0.659,4 1.192,5 -0.115,6 -0.14,7 1.789,8 8.8,9 3.487,10 12.161,11 92.286,12 15.97,13 0.571,14 3.54,15 3.615,16 3.779,17 3.295,18 4.791,19 3.19,20 3.975,21 4.079,22 4.285,23 3.695,24 5.231,25 3.539,26 4.174,27 4.288,28 4.507,29 3.838,30 5.483,31 3.64,32 4.195,33 4.342,34 5.206,35 3.886,36 5.607,37 3.549,38 4.109,39 4.3,40 4.488,41 3.481,42 5.438,43 3.331,44 3.848,45 4.019,46 3.761,47 3.397,48 5.026,49 3.173,50 3.724,51 3.865,52 4.09,53 5.06}
{0 CHEMBL97945,1 1.091,2 1.175,3 0.937,4 1.218,5 -0.121,6 -0.149,7 1.834,8 8.053,9 4.341,10 18.84,11 75.421,12 11.725,13 0.6,14 3.426,15 3.488,16 3.352,17 3.117,18 4.745,19 3.099,20 3.844,21 3.914,22 3.785,23 3.486,24 5.236,25 3.449,26 4.127,27 4.233,28 3.9,29 3.566,30 5.57,31 3.513,32 4.069,33 4.2,34 3.864,35 3.383,36 5.631,37 3.328,38 3.888,39 4.023,40 3.697,41 3.121,42 5.553,43 3.127,44 3.656,45 3.764,46 3.263,47 3.121,48 5.015,49 3.046,50 3.613,51 3.727,52 3.456,53 4.907}