@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL3052 @attribute molecule_id {CHEMBL316097,CHEMBL76784,CHEMBL76921,CHEMBL89567,CHEMBL89926,CHEMBL90365,CHEMBL90592,CHEMBL91548,CHEMBL91816,CHEMBL93782} @attribute ATSC2e numeric @attribute ATSC7e numeric @attribute BAC numeric @attribute CATS2D_02_LL numeric @attribute GATS4e numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS6p numeric @attribute GATS6v numeric @attribute H.047 numeric @attribute IC2 numeric @attribute JGI1 numeric @attribute JGI2 numeric @attribute MATS4e numeric @attribute MATS4m numeric @attribute MATS4s numeric @attribute MATS5m numeric @attribute MATS6p numeric @attribute MATS7v numeric @attribute PW5 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 pXC50 numeric @data {1 0.565,2 0.804,3 51,5 0.791,6 0.899,7 0.986,8 0.976,9 1.067,10 17,11 4.661,12 0.173,13 0.072,14 -0.039,15 0.037,16 -0.053,17 -0.005,18 -0.02,19 -0.228,20 0.103,21 1.694,22 9.88,23 -1.546,24 2.389,25 94.73,26 7.193,27 0.385,28 3.999,29 4.15,30 3.495,31 3.301,32 5.155,33 3.33,34 4.526,35 4.749,36 3.797,37 3.656,38 5.659,39 3.652,40 4.724,41 4.97,42 3.844,43 3.785,44 5.824,45 3.742,46 4.757,47 5.015,48 3.859,49 3.842,50 5.736,51 3.793,52 4.802,53 5.04,54 3.939,55 3.882,56 5.923,57 4} {0 CHEMBL76784,1 0.373,2 0.367,3 14,4 7,5 0.983,6 1.037,7 1.027,8 0.942,9 0.998,10 14,11 4.624,12 0.156,13 0.071,14 0.029,15 -0.042,16 -0.039,17 0.046,18 0.004,19 -0.183,20 0.101,21 1.462,22 11.069,23 4.53,24 20.52,25 118.348,26 6.688,27 0.5,28 4.164,29 4.305,30 3.651,31 3.636,32 5.141,33 3.608,34 4.744,35 4.96,36 3.996,37 4.031,38 5.649,39 3.974,40 4.996,41 5.24,42 4.099,43 4.208,44 5.853,45 4.123,46 5.095,47 5.366,48 4,49 4.206,50 5.938,51 4.085,52 5.001,53 5.289,54 3.919,55 4.088,56 5.82,57 6.301} {0 CHEMBL76921,1 0.425,2 0.467,3 21,4 5,5 0.869,6 0.98,7 1.064,8 1.073,9 1.057,10 21,11 4.668,12 0.188,13 0.079,14 0.06,15 0.001,16 -0.04,17 0.04,18 -0.084,19 -0.153,20 0.101,21 1.5,22 11.448,23 3.114,24 9.696,25 117.656,26 6.82,27 0.5,28 4.156,29 4.3,30 3.662,31 3.595,32 5.16,33 3.58,34 4.732,35 4.957,36 4.014,37 3.986,38 5.657,39 3.952,40 4.925,41 5.154,42 4.068,43 4.156,44 5.831,45 4.081,46 5.058,47 5.328,48 3.996,49 4.169,50 5.92,51 4.054,52 4.991,53 5.284,54 3.899,55 4.062,56 5.81,57 4.097} {0 CHEMBL89567,1 0.353,2 0.363,3 20,4 4,5 1.018,6 1.096,7 0.961,8 0.798,9 0.879,10 11,11 4.612,12 0.192,13 0.08,14 -0.069,15 -0.124,16 -0.138,17 0.031,18 0.119,19 -0.033,20 0.095,21 1.638,22 9.333,23 0.414,24 0.171,25 94.499,26 7.772,27 0.615,28 3.862,29 4.015,30 3.448,31 3.289,32 5.07,33 3.312,34 4.338,35 4.536,36 3.795,37 3.657,38 5.548,39 3.653,40 4.518,41 4.722,42 3.811,43 3.742,44 5.71,45 3.711,46 4.59,47 4.846,48 3.694,49 3.695,50 5.662,51 3.641,52 4.504,53 4.758,54 3.647,55 3.629,56 5.618,57 4.523} {0 CHEMBL89926,1 0.416,2 0.518,3 38,5 0.935,6 0.911,7 0.673,8 1.023,9 1.116,10 8,11 4.736,12 0.238,13 0.077,14 -0.085,15 0.064,16 -0.093,17 -0.034,18 -0.087,19 -0.246,20 0.099,21 1.718,22 7.8,23 -0.585,24 0.342,25 75.897,26 7.55,27 0.476,28 3.733,29 3.885,30 3.277,31 3.061,32 4.931,33 3.1,34 4.237,35 4.451,36 3.627,37 3.412,38 5.463,39 3.427,40 4.42,41 4.639,42 3.606,43 3.48,44 5.656,45 3.463,46 4.424,47 4.702,48 3.508,49 3.439,50 5.467,51 3.407,52 4.243,53 4.459,54 3.525,55 3.392,56 5.494,57 4.222} {0 CHEMBL90365,1 0.378,2 0.57,3 56,4 8,5 0.882,6 0.884,7 0.967,8 0.934,9 0.938,10 13,11 4.764,12 0.219,13 0.066,14 0.062,15 0.103,16 -0.009,17 -0.089,18 0.017,19 -0.042,20 0.096,21 1.509,22 11.633,23 3.873,24 14.999,25 121.756,26 6.655,27 0.5,28 4.202,29 4.344,30 3.661,31 3.642,32 5.243,33 3.617,34 4.756,35 4.97,36 4.001,37 4.02,38 5.717,39 3.968,40 4.984,41 5.222,42 4.063,43 4.171,44 5.923,45 4.085,46 5.119,47 5.394,48 4.057,49 4.198,50 6.012,51 4.091,52 5.07,53 5.343,54 3.985,55 4.14,56 6.03,57 4.222} {0 CHEMBL90592,1 0.37,2 0.38,3 20,4 6,5 1.029,6 0.991,7 0.876,8 0.88,9 0.973,10 11,11 4.603,12 0.212,13 0.074,14 -0.113,15 -0.105,16 -0.145,17 0.024,18 -0.003,19 -0.051,20 0.099,21 1.766,22 10.042,23 1.825,24 3.33,25 94.604,26 8.646,27 0.615,28 3.818,29 3.954,30 3.497,31 3.294,32 5.019,33 3.31,34 4.304,35 4.491,36 3.869,37 3.665,38 5.537,39 3.655,40 4.481,41 4.673,42 3.866,43 3.742,44 5.688,45 3.697,46 4.508,47 4.756,48 3.697,49 3.649,50 5.566,51 3.591,52 4.368,53 4.595,54 3.678,55 3.575,56 5.529,57 4.456} {0 CHEMBL91548,1 0.392,2 0.569,3 27,4 6,5 1.146,6 0.857,7 0.887,8 1.012,9 1.083,10 12,11 5.183,12 0.189,13 0.074,14 -0.046,15 0.019,16 -0.128,17 -0.064,18 -0.096,19 -0.054,20 0.094,21 1.668,22 14.559,23 2.862,24 8.193,25 138.021,26 7.542,27 0.432,28 4.254,29 4.393,30 3.856,31 3.759,32 5.335,33 3.726,34 4.804,35 4.998,36 4.235,37 4.151,38 5.851,39 4.089,40 5.052,41 5.286,42 4.178,43 4.237,44 6.077,45 4.151,46 5.097,47 5.35,48 4.149,49 4.203,50 6.119,51 4.109,52 5.031,53 5.296,54 4.024,55 4.143,56 6.031,57 4.143} {0 CHEMBL91816,1 0.369,2 0.395,3 10,4 10,5 0.935,6 1.057,7 1.048,8 0.788,9 0.853,10 20,11 4.532,12 0.152,13 0.061,14 -0.014,15 -0.085,16 -0.086,17 0.032,18 0.103,19 -0.061,20 0.101,21 1.576,22 12.1,23 3.121,24 9.739,25 119.11,26 7.491,27 0.667,28 4.099,29 4.225,30 3.67,31 3.587,32 5.225,33 3.587,34 4.604,35 4.785,36 3.983,37 3.95,38 5.684,39 3.924,40 4.787,41 4.998,42 4.014,43 4.045,44 5.808,45 3.986,46 4.838,47 5.078,48 3.934,49 4.007,50 5.824,51 3.932,52 4.81,53 5.061,54 3.901,55 3.952,56 5.821,57 4.523} {0 CHEMBL93782,1 0.41,2 0.466,3 29,4 7,5 0.906,6 0.669,7 0.669,8 0.759,9 0.917,10 10,11 4.634,12 0.241,13 0.064,14 -0.016,15 0.183,16 -0.048,17 -0.27,18 0.084,19 0.033,20 0.095,21 1.85,22 9.48,23 2.489,24 6.196,25 99.408,26 9.507,27 0.593,28 3.825,29 3.953,30 3.58,31 3.326,32 5.042,33 3.339,34 4.313,35 4.49,36 3.982,37 3.708,38 5.579,39 3.697,40 4.495,41 4.67,42 3.988,43 3.797,44 5.731,45 3.747,46 4.52,47 4.754,48 4.046,49 3.731,50 5.651,51 3.675,52 4.396,53 4.59,54 3.803,55 3.634,56 5.639,57 4.222}