@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4355

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1090089,CHEMBL1173655,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1240703,CHEMBL1241674,CHEMBL124660,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1421,CHEMBL14762,CHEMBL1614701,CHEMBL162,CHEMBL1673039,CHEMBL1721885,CHEMBL1789941,CHEMBL180022,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL203567,CHEMBL215152,CHEMBL2205766,CHEMBL221959,CHEMBL223360,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL24828,CHEMBL249697,CHEMBL255863,CHEMBL259084,CHEMBL261849,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL300138,CHEMBL31965,CHEMBL377300,CHEMBL379218,CHEMBL384304,CHEMBL386051,CHEMBL428690,CHEMBL440084,CHEMBL445813,CHEMBL450786,CHEMBL464552,CHEMBL475251,CHEMBL477772,CHEMBL483321,CHEMBL491473,CHEMBL494089,CHEMBL509032,CHEMBL511337,CHEMBL513909,CHEMBL521851,CHEMBL522892,CHEMBL525191,CHEMBL535,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL601719,CHEMBL607707,CHEMBL608154,CHEMBL7064,CHEMBL91829,CHEMBL939,CHEMBL941}
@attribute Xindex numeric
@attribute Rperim 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 ATS7p numeric
@attribute ATS7s numeric
@attribute ATS7v numeric
@attribute ATS8e numeric
@attribute ATS8i numeric
@attribute ATS8m numeric
@attribute ATS8p numeric
@attribute ATS8s numeric
@attribute ATS8v numeric
@attribute ATSC1e numeric
@attribute ATSC1i numeric
@attribute ATSC1m numeric
@attribute ATSC1p numeric
@attribute ATSC1s numeric
@attribute ATSC1v numeric
@attribute ATSC2e numeric
@attribute ATSC2i numeric
@attribute ATSC2m numeric
@attribute ATSC2p numeric
@attribute ATSC2s numeric
@attribute ATSC2v numeric
@attribute ATSC3e numeric
@attribute ATSC3i numeric
@attribute ATSC3m numeric
@attribute ATSC3p numeric
@attribute ATSC3s numeric
@attribute ATSC3v numeric
@attribute ATSC4e numeric
@attribute ATSC4i numeric
@attribute ATSC4m numeric
@attribute ATSC4p numeric
@attribute ATSC4s numeric
@attribute ATSC4v numeric
@attribute ATSC5e numeric
@attribute ATSC5i numeric
@attribute ATSC5m numeric
@attribute ATSC5p numeric
@attribute ATSC5s numeric
@attribute ATSC5v numeric
@attribute ATSC6e numeric
@attribute ATSC6i numeric
@attribute ATSC6m numeric
@attribute ATSC6p numeric
@attribute ATSC6s numeric
@attribute ATSC6v numeric
@attribute ATSC7e numeric
@attribute ATSC7i numeric
@attribute ATSC7m numeric
@attribute ATSC7p numeric
@attribute ATSC7s numeric
@attribute ATSC7v numeric
@attribute ATSC8e numeric
@attribute ATSC8i numeric
@attribute ATSC8m numeric
@attribute ATSC8p numeric
@attribute ATSC8s numeric
@attribute ATSC8v numeric
@attribute BAC numeric
@attribute BBI numeric
@attribute BIC0 numeric
@attribute BIC1 numeric
@attribute BIC2 numeric
@attribute BIC3 numeric
@attribute BIC4 numeric
@attribute BIC5 numeric
@attribute BID numeric
@attribute BLI numeric
@attribute BLTA96 numeric
@attribute BLTD48 numeric
@attribute BLTF96 numeric
@attribute Br.094 numeric
@attribute C. numeric
@attribute C.001 numeric
@attribute C.002 numeric
@attribute C.003 numeric
@attribute C.004 numeric
@attribute C.005 numeric
@attribute C.006 numeric
@attribute C.007 numeric
@attribute C.008 numeric
@attribute C.009 numeric
@attribute C.011 numeric
@attribute C.012 numeric
@attribute C.013 numeric
@attribute C.015 numeric
@attribute C.016 numeric
@attribute C.017 numeric
@attribute C.019 numeric
@attribute C.021 numeric
@attribute C.022 numeric
@attribute C.024 numeric
@attribute C.025 numeric
@attribute C.026 numeric
@attribute C.027 numeric
@attribute C.028 numeric
@attribute C.029 numeric
@attribute C.030 numeric
@attribute C.031 numeric
@attribute C.032 numeric
@attribute C.033 numeric
@attribute C.034 numeric
@attribute C.035 numeric
@attribute C.039 numeric
@attribute C.040 numeric
@attribute C.041 numeric
@attribute C.042 numeric
@attribute C.043 numeric
@attribute C.044 numeric
@attribute CATS2D_00_DD numeric
@attribute CATS2D_00_DP numeric
@attribute CATS2D_00_PP numeric
@attribute CATS2D_01_AA numeric
@attribute CATS2D_01_AN numeric
@attribute CATS2D_01_DA numeric
@attribute CATS2D_01_DN numeric
@attribute CATS2D_01_LL numeric
@attribute CATS2D_01_NL numeric
@attribute CATS2D_02_AA numeric
@attribute CATS2D_02_AL numeric
@attribute CATS2D_02_AP numeric
@attribute CATS2D_02_DA numeric
@attribute CATS2D_02_DD numeric
@attribute CATS2D_02_DL numeric
@attribute CATS2D_02_LL numeric
@attribute CATS2D_02_NL numeric
@attribute CATS2D_02_PL numeric
@attribute CATS2D_03_AA numeric
@attribute CATS2D_03_AL numeric
@attribute CATS2D_03_AP numeric
@attribute CATS2D_03_DA numeric
@attribute CATS2D_03_DD numeric
@attribute CATS2D_03_DL numeric
@attribute CATS2D_03_DP numeric
@attribute CATS2D_03_LL numeric
@attribute CATS2D_03_NL numeric
@attribute CATS2D_03_PL numeric
@attribute CATS2D_04_AA numeric
@attribute CATS2D_04_AL numeric
@attribute CATS2D_04_AP numeric
@attribute CATS2D_04_DA numeric
@attribute CATS2D_04_DD numeric
@attribute CATS2D_04_DL numeric
@attribute CATS2D_04_DP numeric
@attribute CATS2D_04_LL numeric
@attribute CATS2D_04_PL numeric
@attribute CATS2D_04_PP numeric
@attribute CATS2D_05_AA numeric
@attribute CATS2D_05_AL numeric
@attribute CATS2D_05_AP numeric
@attribute CATS2D_05_DA numeric
@attribute CATS2D_05_DD numeric
@attribute CATS2D_05_DL numeric
@attribute CATS2D_05_DN numeric
@attribute CATS2D_05_DP numeric
@attribute CATS2D_05_LL numeric
@attribute CATS2D_05_PL numeric
@attribute CATS2D_06_AA numeric
@attribute CATS2D_06_AL numeric
@attribute CATS2D_06_AP numeric
@attribute CATS2D_06_DA numeric
@attribute CATS2D_06_DD numeric
@attribute CATS2D_06_DL numeric
@attribute CATS2D_06_DP numeric
@attribute CATS2D_06_LL numeric
@attribute CATS2D_06_PL numeric
@attribute CATS2D_07_AA numeric
@attribute CATS2D_07_AL numeric
@attribute CATS2D_07_AN numeric
@attribute CATS2D_07_AP numeric
@attribute CATS2D_07_DA numeric
@attribute CATS2D_07_DD numeric
@attribute CATS2D_07_DL numeric
@attribute CATS2D_07_DP numeric
@attribute CATS2D_07_LL numeric
@attribute CATS2D_07_PL numeric
@attribute CATS2D_08_AA numeric
@attribute CATS2D_08_AL numeric
@attribute CATS2D_08_AP numeric
@attribute CATS2D_08_DA numeric
@attribute CATS2D_08_DD numeric
@attribute CATS2D_08_DL numeric
@attribute CATS2D_08_DP numeric
@attribute CATS2D_08_LL numeric
@attribute CATS2D_08_PL numeric
@attribute CATS2D_09_AA numeric
@attribute CATS2D_09_AL numeric
@attribute CATS2D_09_AP numeric
@attribute CATS2D_09_DA numeric
@attribute CATS2D_09_DD numeric
@attribute CATS2D_09_DL numeric
@attribute CATS2D_09_DP numeric
@attribute CATS2D_09_LL numeric
@attribute CATS2D_09_NL numeric
@attribute CATS2D_09_PL numeric
@attribute CENT numeric
@attribute Chi0_AEA.bo. numeric
@attribute Chi0_AEA.dm. numeric
@attribute Chi0_AEA.ed. numeric
@attribute Chi0_AEA.ri. numeric
@attribute Chi0_EA numeric
@attribute Chi0_EA.bo. numeric
@attribute Chi0_EA.dm. numeric
@attribute Chi0_EA.ed. numeric
@attribute Chi0_EA.ri. numeric
@attribute Chi1_AEA.bo. numeric
@attribute Chi1_AEA.dm. numeric
@attribute Chi1_AEA.ed. numeric
@attribute Chi1_AEA.ri. numeric
@attribute Chi1_EA numeric
@attribute Chi1_EA.bo. numeric
@attribute Chi1_EA.dm. numeric
@attribute Chi1_EA.ed. numeric
@attribute pXC50 numeric

@data
{1 0.312,2 23,3 1.682,4 10.037,5 3.884,6 15.085,7 105.742,8 8.778,9 0.767,10 3.876,11 3.969,12 3.685,13 3.557,14 5.067,15 3.514,16 4.342,17 4.468,18 3.966,19 3.915,20 5.557,21 3.863,22 4.56,23 4.722,24 3.994,25 3.994,26 5.781,27 3.931,28 4.58,29 4.762,30 3.908,31 3.95,32 5.751,33 3.886,34 4.601,35 4.819,36 3.857,37 3.946,38 5.646,39 3.871,40 4.499,41 4.692,42 3.898,43 3.935,44 5.602,45 3.856,46 4.493,47 4.659,48 3.897,49 3.953,50 5.719,51 3.858,52 4.594,53 4.821,54 3.718,55 3.862,56 5.71,57 3.742,58 0.057,59 0.666,60 7.483,61 3.94,62 8.578,63 4.237,64 0.115,65 1.074,66 14.667,67 6.738,68 15.682,69 7.342,70 0.247,71 1.318,72 18.974,73 8.268,74 43.026,75 8.97,76 0.275,77 1.334,78 19.434,79 7.928,80 40.885,81 8.824,82 0.302,83 1.29,84 19.997,85 7.981,86 39.294,87 9.967,88 0.252,89 1.223,90 17.439,91 7.486,92 31.067,93 9.636,94 0.242,95 1.216,96 16.215,97 7.987,98 27.859,99 9.813,100 0.261,101 1.31,102 21.198,103 8.944,104 39.575,105 10.966,106 11,107 42,108 0.287,109 0.569,110 0.703,111 0.795,112 0.81,113 0.81,114 3.341,115 0.988,116 -4.92,117 -4.83,118 -4.53,120 48.8,125 1,139 10,140 3,141 2,142 2,143 1,149 1,155 1,164 10,167 4,169 1,171 2,172 9,176 8,180 5,182 5,186 8,190 4,192 6,196 1,198 1,200 2,203 14,205 1,206 1,212 18,214 1,215 3,218 1,222 12,225 4,231 4,234 4,243 1123,244 18.361,245 18.361,246 18.361,247 18.361,248 18.361,249 15.561,250 4.368,251 10.837,252 18.876,253 14.814,254 14.814,255 14.814,256 14.814,257 14.814,258 10.659,259 2.498,260 5.164,261 7.565}
{0 CHEMBL101253,1 0.306,2 22,3 1.496,4 10.4,5 4.705,6 22.138,7 100.976,8 8.671,9 0.821,10 3.803,11 3.913,12 3.514,13 3.464,14 4.975,15 3.437,16 4.262,17 4.398,18 3.86,19 3.837,20 5.382,21 3.788,22 4.511,23 4.697,24 3.901,25 3.938,26 5.564,27 3.861,28 4.515,29 4.732,30 3.756,31 3.84,32 5.52,33 3.754,34 4.451,35 4.676,36 3.759,37 3.782,38 5.493,39 3.723,40 4.382,41 4.579,42 3.717,43 3.806,44 5.456,45 3.734,46 4.37,47 4.573,48 3.668,49 3.781,50 5.403,51 3.675,52 4.285,53 4.512,54 3.486,55 3.609,56 5.255,57 3.465,58 0.036,59 0.569,60 5.871,61 3.065,62 6.797,63 3.852,64 0.051,65 0.892,66 10.545,67 5.141,68 10.565,69 6.527,70 0.15,71 1.134,72 18.583,73 7.031,74 22.023,75 8.915,76 0.152,77 1.147,78 19.99,79 7.228,80 24.391,81 9.299,82 0.206,83 1.11,84 17.499,85 6.324,86 25.7,87 8.142,88 0.186,89 1.026,90 15.521,91 5.816,92 22.825,93 7.282,94 0.139,95 0.952,96 15.408,97 6.574,98 20.483,99 8.757,100 0.115,101 0.837,102 16.149,103 6.477,104 20.375,105 8.711,106 2,107 38,108 0.259,109 0.558,110 0.709,111 0.819,112 0.836,113 0.845,114 3.267,115 0.893,116 -5.43,117 -5.31,118 -4.96,120 50,122 1,139 10,140 3,141 2,142 2,143 1,144 1,160 1,164 11,167 5,169 1,171 3,172 14,176 7,178 1,180 4,182 10,186 10,190 2,192 8,196 8,200 3,203 13,205 1,206 3,210 1,212 13,214 1,215 3,220 2,222 11,225 3,231 8,234 1,236 1,240 8,243 911,244 17.361,245 17.361,246 17.361,247 17.361,248 17.361,249 14.555,250 18.364,251 10.512,252 17.698,253 13.875,254 13.875,255 13.875,256 13.875,257 13.875,258 9.836,259 28.435,260 5.06,261 5}
{0 CHEMBL103667,1 0.228,2 27,3 1.476,4 15.333,5 5.907,6 34.897,7 153.448,8 6.944,9 0.512,10 4.416,11 4.543,12 3.928,13 3.926,14 5.446,15 3.899,16 4.975,17 5.161,18 4.296,19 4.324,20 5.966,21 4.279,22 5.224,23 5.428,24 4.344,25 4.489,26 6.191,27 4.408,28 5.354,29 5.615,30 4.314,31 4.494,32 6.25,33 4.385,34 5.289,35 5.537,36 4.298,37 4.402,38 6.266,39 4.322,40 5.161,41 5.377,42 4.272,43 4.38,44 6.186,45 4.313,46 5.213,47 5.426,48 4.329,49 4.471,50 6.285,51 4.385,52 5.328,53 5.566,54 4.237,55 4.518,56 6.285,57 4.402,58 0.071,59 1.114,60 17.099,61 7.024,62 11.85,63 9.626,64 0.407,65 1.786,66 32.2,67 11.499,68 38.337,69 16.193,70 0.522,71 2.215,72 41.95,73 14.363,74 49.844,75 20.619,76 0.467,77 2.375,78 49.157,79 16.419,80 58.81,81 24.524,82 0.653,83 2.184,84 46.823,85 14.355,86 69.806,87 21.162,88 0.568,89 2.014,90 40.251,91 12.847,92 62.036,93 18.535,94 0.461,95 2.159,96 41.436,97 14.686,98 73.226,99 21.166,100 0.588,101 2.318,102 47.773,103 16.237,104 80.539,105 23.357,106 27,107 61,108 0.226,109 0.537,110 0.702,111 0.788,112 0.812,113 0.816,114 3.693,115 0.941,116 -5.07,117 -4.97,118 -4.65,120 40.8,121 4,124 1,126 6,139 11,140 3,141 3,143 1,150 1,153 1,160 1,164 15,167 7,169 3,170 1,171 3,172 18,175 2,176 11,178 1,180 3,182 14,185 1,186 11,188 1,190 8,192 6,195 1,196 8,198 2,200 9,203 6,205 1,206 11,210 6,212 11,214 1,215 13,218 1,220 7,222 11,225 9,227 1,229 1,231 12,233 1,234 8,238 1,240 23,243 3163,244 26.126,245 26.126,246 26.126,247 26.126,248 26.126,249 23.423,250 36.989,251 15.44,252 26.724,253 21.281,254 21.281,255 21.281,256 21.281,257 21.281,258 17.125,259 47.755,260 7.396,261 5}
{0 CHEMBL105442,1 0.36,2 15,3 1.983,4 9.88,5 4.908,6 24.087,7 99.228,8 12.274,9 0.444,10 3.792,11 3.884,12 3.775,13 3.435,14 5.022,15 3.394,16 4.273,17 4.4,18 4.197,19 3.786,20 5.534,21 3.708,22 4.519,23 4.69,24 4.354,25 3.863,26 6.008,27 3.773,28 4.473,29 4.655,30 4.497,31 3.765,32 5.852,33 3.678,34 4.37,35 4.525,36 4.097,37 3.624,38 5.907,39 3.633,40 4.392,41 4.524,42 4.225,43 3.733,44 6.046,45 3.707,46 4.409,47 4.554,48 4.266,49 3.714,50 5.974,51 3.646,52 4.31,53 4.504,54 4.362,55 3.646,56 5.56,57 3.482,58 0.19,59 0.668,60 0.871,61 3.405,62 18.075,63 3.508,64 0.379,65 1.031,66 4.693,67 6.413,68 38.569,69 6.332,70 0.857,71 1.404,72 33.685,73 9.985,74 101.366,75 8.732,76 0.789,77 1.191,78 46.152,79 9.47,80 78.619,81 7.529,82 0.793,83 1.123,84 12.827,85 6.22,86 106.151,87 5.258,88 0.863,89 1.152,90 19.438,91 7.893,92 106.636,93 6.804,94 0.91,95 1.123,96 11.633,97 7.74,98 109.321,99 6.234,100 0.65,101 1.068,102 22.075,103 9.053,104 79.569,105 7.243,106 26,107 38,108 0.355,109 0.704,110 0.829,111 0.891,112 0.891,113 0.891,114 3.267,115 1.004,116 -5.59,117 -5.46,118 -5.09,120 43.6,122 2,123 1,126 1,139 5,140 1,141 6,152 1,162 1,164 6,167 2,169 1,171 3,172 5,175 1,176 4,180 6,182 3,186 2,188 1,189 1,190 4,192 3,196 2,198 1,200 1,203 5,206 3,210 1,212 7,215 4,220 4,222 7,225 3,229 2,231 3,234 1,238 1,240 2,243 1031,244 16.499,245 16.499,246 16.499,247 16.499,248 16.499,249 14.722,250 16.843,251 9.551,252 17.054,253 13.256,254 13.256,255 13.256,256 13.256,257 13.256,258 10.619,259 19.271,260 4.509,261 5}
{0 CHEMBL1090089,1 0.338,2 16,3 1.836,4 12.034,5 1.299,6 1.687,7 104.158,8 8.294,9 0.387,10 4.018,11 4.123,12 3.64,13 3.453,14 5.279,15 3.489,16 4.534,17 4.692,18 4.006,19 3.812,20 5.811,21 3.836,22 4.806,23 4.997,24 4.135,25 3.93,26 6.125,27 3.951,28 4.837,29 5.046,30 4.076,31 3.903,32 6.211,33 3.91,34 4.793,35 4.991,36 4.012,37 3.888,38 6.071,39 3.886,40 4.79,41 5.003,42 4.015,43 3.86,44 6.268,45 3.851,46 4.667,47 4.87,48 3.877,49 3.828,50 5.904,51 3.801,52 4.686,53 4.901,54 3.79,55 3.738,56 6.08,57 3.69,58 0.257,59 0.848,60 8.561,61 4.228,62 31.791,63 4.835,64 0.593,65 1.297,66 17.238,67 6.884,68 59.393,69 8.187,70 1.08,71 1.535,72 26.318,73 8.292,74 116.041,75 10.52,76 1.22,77 1.573,78 28.254,79 8.05,80 154.47,81 10.436,82 1.06,83 1.339,84 26.305,85 7.796,86 108.22,87 10.307,88 1.242,89 1.358,90 27.081,91 7.455,92 152.766,93 10.29,94 0.709,95 1.35,96 22.27,97 7.837,98 77.305,99 10.107,100 1.08,101 1.319,102 24.546,103 7.816,104 132.354,105 10.1,106 47,107 43,108 0.312,109 0.7,110 0.831,111 0.855,112 0.855,113 0.855,114 3.408,115 0.862,116 -3.44,117 -3.42,118 -3.27,120 38.8,122 2,125 1,126 2,128 1,134 1,136 1,139 3,140 1,141 3,142 1,144 1,147 1,152 1,164 2,166 3,167 5,169 2,171 4,172 2,175 2,176 7,182 1,185 2,186 5,188 1,189 2,190 3,192 1,195 2,196 2,200 1,203 3,205 1,206 6,208 5,209 1,212 4,215 2,218 1,222 2,225 6,227 2,229 2,234 2,238 3,243 1296,244 19.394,245 19.394,246 19.394,247 19.394,248 19.394,249 17.592,250 27.109,251 11.516,252 19.948,253 15.204,254 15.204,255 15.204,256 15.204,257 15.204,258 12.37,259 41.818,260 5.322,261 6}
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