@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3852

@attribute molecule_id {CHEMBL1159757,CHEMBL152397,CHEMBL155256,CHEMBL1747,CHEMBL349996,CHEMBL383983,CHEMBL384228,CHEMBL405576,CHEMBL415806,CHEMBL427409,CHEMBL449118}
@attribute ALOGP numeric
@attribute ALOGP2 numeric
@attribute BIC1 numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_09_AA numeric
@attribute GATS5m numeric
@attribute GATS5v numeric
@attribute GATS6p numeric
@attribute GATS6v numeric
@attribute GATS8s numeric
@attribute MATS5m numeric
@attribute MATS5v numeric
@attribute MAXDN numeric
@attribute SIC1 numeric
@attribute BIC2 numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_09_DD numeric
@attribute CIC4 numeric
@attribute GATS2s numeric
@attribute MATS6v numeric
@attribute MATS8m numeric
@attribute SIC2 numeric
@attribute SIC3 numeric
@attribute CIC1 numeric
@attribute Hy numeric
@attribute SIC5 numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_08_DD numeric
@attribute SsNH2 numeric
@attribute BIC5 numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute CATS2D_03_DL numeric
@attribute CIC2 numeric
@attribute MATS6m numeric
@attribute MATS7v numeric
@attribute MLOGP numeric
@attribute MLOGP2 numeric
@attribute CIC5 numeric
@attribute H.050 numeric
@attribute nHDon numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_PL numeric
@attribute DLS_03 numeric
@attribute GATS1s numeric
@attribute GATS2e numeric
@attribute GATS2m numeric
@attribute GATS6m numeric
@attribute MATS2i numeric
@attribute MATS6p numeric
@attribute BIC4 numeric
@attribute CIC3 numeric
@attribute pXC50 numeric

@data
{1 -5.084,2 25.85,3 0.545,4 5,5 1,6 10,7 6,8 6,9 0.96,10 0.954,11 1.015,12 0.979,13 1.169,14 0.026,15 0.052,16 3.11,17 0.558,18 0.733,19 4,20 8,21 0.627,22 0.837,23 0.03,24 -0.048,25 0.751,26 0.857,27 3.152,28 12.352,29 0.935,30 9,31 8,32 24.949,33 0.913,34 3.42,35 3.09,36 2.56,37 5,38 1.777,39 0.034,40 -0.07,41 -4.647,42 21.593,43 0.464,44 18,45 18,46 2,47 5,49 4,50 1,51 0.33,52 1.049,53 1.056,54 0.927,55 0.944,56 0.061,57 0.025,58 0.89,59 1.02,60 6.301}
{0 CHEMBL152397,1 -1.596,2 2.546,3 0.565,4 4,5 1,6 2,7 3,9 1.074,10 0.958,11 0.961,12 0.946,13 1.286,14 -0.059,15 0.002,16 2.778,17 0.59,18 0.7,19 1,20 3,21 0.416,22 0.852,23 0.036,24 -0.031,25 0.731,26 0.846,27 2.548,28 7.325,29 0.965,30 5,31 6,32 17.994,33 0.924,34 -0.62,35 -0.74,36 -0.87,37 3,38 1.668,39 0.059,40 -0.052,41 -0.615,42 0.378,43 0.216,44 11,45 11,46 2,47 4,49 4,50 1,51 0.5,52 1.052,53 0.936,54 0.919,55 0.945,56 0.013,57 0.005,58 0.894,59 0.955,60 4.721}
{0 CHEMBL155256,1 -6.478,2 41.963,3 0.552,4 5,5 1,6 4,7 6,8 1,9 1.023,10 0.962,11 0.972,12 0.922,13 1.13,14 -0.026,15 0.012,16 2.789,17 0.557,18 0.758,19 4,20 4,21 0.507,22 0.829,23 0.091,24 -0.063,25 0.765,26 0.868,27 2.723,28 14.237,29 0.936,30 6,31 9,32 33.99,33 0.927,34 3.01,35 2.71,36 2.22,37 3,38 1.444,39 0.089,40 -0.069,41 -4.245,42 18.018,43 0.394,44 17,45 17,46 3,47 4,49 7,51 0.5,52 1.185,53 0.935,54 0.981,55 0.888,56 -0.105,57 0.06,58 0.909,59 0.81,60 6.337}
{0 CHEMBL1747,1 -6.86,2 47.057,3 0.498,4 2,5 1,7 2,9 1.087,10 1.007,11 0.971,12 0.958,13 0.835,14 -0.076,15 -0.031,16 2.774,17 0.501,18 0.713,19 1,20 1,21 0.435,22 0.976,23 0.062,24 0.028,25 0.718,26 0.877,27 3.046,28 12.154,29 0.938,30 10,31 10,32 29.77,33 0.932,34 3.28,35 2.96,36 2.44,38 1.722,39 0.041,40 -0.143,41 -4.51,42 20.338,43 0.377,44 15,45 15,46 5,47 6,48 1,49 9,50 2,51 0.67,52 1.263,53 1.096,54 1.025,55 0.93,56 -0.164,57 0.07,58 0.923,59 0.754,60 5.386}
{0 CHEMBL349996,1 -2.677,2 7.166,3 0.571,4 5,5 1,6 4,7 6,8 1,9 1.047,10 0.956,11 0.967,12 0.946,13 1.213,14 -0.036,15 0.014,16 2.876,17 0.591,18 0.737,19 3,20 4,21 0.482,22 0.763,23 0.044,24 -0.034,25 0.764,26 0.865,27 2.697,28 11.521,29 0.95,30 7,31 9,32 29.016,33 0.917,34 0.32,35 0.15,36 -0.08,37 5,38 1.556,39 0.053,40 -0.041,41 -1.547,42 2.392,43 0.33,44 16,45 16,46 2,47 4,49 6,51 0.33,52 1.019,53 0.859,54 0.915,55 0.944,56 0.046,57 0.024,58 0.895,59 0.894,60 6.456}
{0 CHEMBL383983,1 -12.751,2 162.585,3 0.419,4 7,5 3,6 6,7 7,8 3,9 1.02,10 0.974,11 1.026,12 1.007,13 0.983,14 -0.026,15 0.016,16 2.901,17 0.421,18 0.621,19 7,20 5,21 1.038,22 1.001,23 0.02,24 0.018,25 0.625,26 0.777,27 4.35,28 25.279,29 0.897,30 17,31 14,32 67.686,33 0.892,34 -5.44,35 -5.32,36 -4.97,37 1,38 2.822,39 0.011,40 -0.076,41 -10.21,42 104.25,43 0.771,44 32,45 32,46 9,47 13,48 2,49 14,50 4,51 0.17,52 1.244,53 1.174,54 1.148,55 0.987,56 -0.137,57 0.022,58 0.857,59 1.678,60 6.796}
{0 CHEMBL384228,1 -14.56,2 211.999,3 0.41,4 10,5 6,6 12,7 10,8 6,9 0.996,10 0.967,11 1.041,12 1.022,13 1.02,14 -0.014,15 0.026,16 2.99,17 0.413,18 0.599,19 9,20 8,21 1.606,22 1.006,23 0.009,24 -0.001,25 0.603,26 0.736,27 4.495,28 27.648,29 0.813,30 16,31 12,32 67.287,33 0.808,34 -7.47,35 -7.24,36 -6.69,37 2,38 3.041,39 0.009,40 -0.045,41 -12.236,42 149.714,43 1.433,44 35,45 35,46 7,47 14,48 2,49 11,50 2,51 0.17,52 1.23,53 1.175,54 1.137,55 0.978,56 -0.132,57 0.012,58 0.785,59 2.017,60 8}
{0 CHEMBL405576,1 -10.652,2 113.465,3 0.427,4 4,7 4,9 1.049,10 0.985,11 1.012,12 0.992,13 0.924,14 -0.041,15 0.002,16 2.771,17 0.429,18 0.63,19 4,20 2,21 1.463,22 0.992,23 0.031,24 0.045,25 0.634,26 0.758,27 4.2,28 21.915,29 0.808,30 18,31 16,32 61.658,33 0.803,34 -3.4,35 -3.38,36 -3.23,38 2.692,39 0.012,40 -0.116,41 -8.168,42 66.714,43 1.415,44 28,45 28,46 10,47 12,48 2,49 16,50 6,51 0.17,52 1.248,53 1.17,54 1.162,55 0.997,56 -0.142,57 0.033,58 0.796,59 1.78,60 5.433}
{0 CHEMBL415806,1 -13.335,2 177.814,3 0.417,4 18,5 3,6 34,7 22,8 4,9 0.953,10 1.006,11 1.069,12 1.044,13 0.956,14 0.046,15 0.023,16 3.441,17 0.424,18 0.558,19 11,20 29,21 2.553,22 0.466,23 -0.011,24 0.046,25 0.568,26 0.652,27 4.852,28 56.136,29 0.735,30 21,31 35,32 77.99,33 0.723,34 -7.42,35 -7.2,36 -6.65,37 47,38 3.643,39 -0.018,40 0.028,41 -12.187,42 148.53,43 2.23,44 68,45 68,46 1,47 3,48 2,49 14,50 7,51 0.17,52 0.801,53 0.512,54 0.897,55 1.012,56 -0.071,57 0.013,58 0.685,59 2.935,60 8.471}
{0 CHEMBL427409,1 -5.396,2 29.121,3 0.536,4 4,5 2,6 1,7 3,9 1.07,10 0.961,11 0.924,12 0.923,13 1.068,14 -0.074,15 -0.021,16 2.644,17 0.539,18 0.709,20 3,21 0.417,22 0.968,23 0.07,24 -0.03,25 0.713,26 0.845,27 2.574,28 10.132,29 0.955,30 5,31 6,32 22.837,33 0.95,34 2.35,35 2.08,36 1.65,37 1,38 1.605,39 0.034,40 -0.131,41 -3.58,42 12.819,43 0.25,44 12,45 12,46 3,47 5,49 6,50 1,51 0.83,52 1.288,53 1.044,54 1.006,55 0.922,56 -0.171,57 0.069,58 0.92,59 0.865,60 4.678}
{0 CHEMBL449118,1 -8.959,2 80.258,3 0.47,4 5,5 3,6 7,7 6,8 2,9 1.039,10 0.989,11 1.081,12 1.023,13 1.054,14 -0.034,15 0.006,16 2.938,17 0.473,18 0.66,19 5,20 8,21 0.827,22 1,23 0.017,24 -0.031,25 0.665,26 0.819,27 3.403,28 15.405,29 0.894,30 9,31 8,32 35.637,33 0.888,34 -1.68,35 -1.74,36 -1.77,37 1,38 2.162,39 0.017,40 -0.076,41 -6.446,42 41.557,43 0.682,44 19,45 19,46 4,47 7,49 6,50 1,51 0.17,52 1.258,53 1.129,54 1.017,55 0.954,56 -0.148,57 0.004,58 0.866,59 1.171,60 6.745}