{ "task_id": "97757", "runs": 3, "visibility": "public", "embargo_end_date": null, "tasktype": { "tt_id": 2, "name": "Supervised Regression" }, "date": "2016-07-18 11:27:24", "uploader_id": "62", "source_data": { "type": "Dataset", "data_id": "29254", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2014" }, "estimation_procedure": { "type": "Estimation Procedure", "proc_id": "24", "name": "Custom 10-fold Crossvalidation" }, "custom_testset": "[[[1178, 927, 317, 1209, 67, 417, 780, 416, 409, 1363, 934, 1008, 223, 1244, 91, 449, 1268, 867, 312, 781, 1152, 7, 222, 715, 764, 15, 1272, 1035, 1140, 272, 1151, 774, 1127, 442, 262, 1047, 1257, 1055, 231, 632, 1312, 1359, 939, 1356, 82, 233, 296, 1300, 689, 783, 215, 391, 342, 138, 894, 611, 555, 269, 78, 1129, 368, 1315, 779, 367, 1150, 971, 1195, 499, 1291, 713, 319, 183, 1031, 659, 842, 1256, 718, 201, 996, 885, 1156, 1227, 641, 730, 41, 1216, 866, 1271, 470, 327, 831, 908, 469, 563, 909, 350, 33, 96, 1107, 731, 43, 736, 59, 280, 301, 347, 517, 1002, 1248, 1382, 255, 597, 430, 104, 509, 419, 757, 36, 1111, 1281, 811, 383, 1265, 978, 844, 1393, 331, 406, 472, 485, 212, 211, 251, 376, 1213, 515, 1418, 754, 1262, 1181, 701, 144], [687, 1033, 497, 889, 970, 836, 975, 1190, 1327, 466, 935, 1404, 1016, 86, 1233, 847, 1311, 482, 878, 1029, 652, 1230, 1294, 241, 785, 340, 309, 594, 559, 338, 97, 335, 1128, 1240, 524, 944, 1385, 1309, 1096, 1160, 155, 1336, 357, 300, 1020, 249, 739, 1353, 295, 1030, 883, 674, 196, 158, 113, 676, 804, 1365, 490, 716, 487, 1316, 116, 937, 748, 250, 752, 950, 968, 501, 912, 476, 232, 672, 1296, 623, 234, 457, 384, 420, 548, 125, 115, 792, 227, 1318, 216, 151, 941, 277, 42, 702, 204, 1413, 27, 1159, 310, 62, 81, 881, 1048, 562, 1397, 1298, 1142, 998, 1290, 397, 451, 649, 441, 556, 292, 527, 698, 581, 873, 1032, 1349, 932, 860, 1412, 628, 1254, 1247, 629, 957, 354, 585, 465, 753, 813, 1108, 816, 378, 976, 128, 6, 287, 700, 225, 72], [140, 164, 1144, 577, 174, 495, 1310, 990, 1424, 1094, 1360, 1093, 572, 1260, 1276, 1306, 966, 1375, 678, 403, 755, 401, 108, 1319, 707, 261, 523, 168, 1179, 432, 169, 421, 712, 683, 962, 510, 709, 834, 1015, 586, 538, 112, 412, 369, 546, 433, 459, 1299, 1237, 570, 833, 1053, 544, 229, 1304, 498, 182, 107, 1215, 318, 185, 693, 186, 961, 969, 1383, 103, 1362, 124, 38, 1173, 742, 1340, 590, 220, 972, 915, 1399, 29, 170, 1130, 1072, 561, 1400, 530, 770, 53, 825, 120, 85, 28, 1023, 1419, 1110, 719, 1148, 714, 1067, 1357, 1075, 1416, 188, 22, 23, 95, 271, 554, 1101, 48, 299, 598, 795, 945, 478, 425, 923, 321, 584, 913, 353, 803, 621, 402, 666, 1036, 199, 55, 616, 682, 897, 1011, 788, 147, 887, 980, 64, 1105, 473, 805, 141, 79, 284, 374], [536, 596, 289, 773, 57, 1313, 1394, 56, 1328, 690, 415, 40, 161, 872, 16, 483, 286, 1259, 11, 361, 1232, 558, 1141, 313, 337, 1301, 843, 503, 681, 1234, 462, 1321, 395, 1420, 1364, 1384, 98, 507, 1034, 1064, 749, 398, 1354, 647, 1392, 344, 821, 235, 320, 258, 1174, 1120, 875, 191, 54, 613, 568, 612, 134, 1185, 132, 985, 533, 471, 888, 644, 303, 400, 150, 670, 951, 532, 76, 117, 680, 1188, 531, 1308, 325, 560, 529, 121, 829, 1345, 1026, 494, 663, 1324, 245, 1071, 793, 1221, 665, 1288, 346, 83, 454, 450, 1391, 26, 1352, 35, 298, 266, 508, 655, 1314, 728, 1170, 404, 1417, 213, 946, 1162, 479, 1217, 582, 242, 1411, 1028, 282, 551, 145, 744, 1146, 771, 377, 959, 148, 1274, 444, 838, 725, 1199, 564, 721, 142, 334, 437, 516, 1009, 539, 1040], [673, 1389, 5, 492, 595, 1421, 445, 826, 1090, 695, 39, 1204, 1273, 760, 493, 496, 1406, 17, 1013, 1143, 777, 1198, 1344, 1003, 789, 857, 1277, 88, 896, 1401, 576, 1337, 274, 9, 386, 1169, 1042, 1045, 1135, 1374, 1049, 1346, 854, 1153, 372, 741, 1176, 958, 1132, 365, 179, 997, 1180, 136, 636, 656, 818, 288, 1058, 625, 604, 942, 1370, 477, 1398, 122, 759, 671, 123, 740, 661, 505, 189, 452, 618, 987, 1414, 51, 263, 578, 304, 1302, 171, 77, 947, 686, 953, 543, 1201, 545, 349, 270, 44, 1331, 662, 651, 1164, 345, 916, 1373, 206, 1372, 1136, 727, 786, 314, 21, 348, 1405, 653, 778, 69, 428, 519, 214, 294, 106, 1171, 645, 634, 822, 952, 1264, 567, 380, 474, 127, 535, 1323, 209, 798, 332, 424, 1253, 333, 1220, 640, 876, 723, 1155, 1194, 820, 609], [1182, 2, 893, 824, 685, 20, 111, 588, 165, 602, 1208, 1183, 989, 726, 763, 1238, 195, 1087, 705, 654, 1056, 1395, 858, 362, 130, 1177, 61, 688, 790, 1039, 1378, 1054, 336, 1097, 1287, 461, 273, 1187, 1109, 247, 1211, 224, 389, 370, 24, 758, 782, 746, 1186, 137, 1175, 1123, 10, 849, 392, 366, 879, 393, 135, 861, 768, 1095, 254, 862, 541, 102, 276, 1379, 880, 1119, 936, 489, 193, 275, 762, 910, 443, 830, 819, 669, 837, 506, 74, 293, 504, 1084, 1063, 606, 468, 542, 52, 30, 1001, 1387, 1010, 999, 18, 534, 615, 221, 884, 1297, 58, 1158, 456, 601, 198, 1038, 589, 979, 993, 217, 34, 761, 904, 848, 434, 252, 794, 363, 1019, 1022, 1283, 1263, 569, 1423, 248, 210, 500, 729, 268, 617, 129, 464, 1021, 408, 814, 575, 863, 19, 208, 143, 1200], [265, 1403, 1167, 3, 1184, 694, 614, 355, 853, 750, 1305, 1060, 610, 65, 1224, 1292, 1322, 502, 109, 1062, 643, 974, 696, 856, 767, 322, 166, 920, 323, 267, 638, 1116, 886, 219, 722, 846, 307, 50, 1289, 1407, 869, 827, 414, 706, 387, 455, 1341, 1342, 31, 1106, 664, 244, 547, 905, 89, 1043, 157, 991, 178, 1196, 359, 903, 413, 1222, 133, 599, 1280, 405, 592, 306, 938, 1278, 928, 855, 624, 1335, 1138, 226, 1333, 1191, 528, 311, 580, 1320, 281, 100, 84, 118, 1239, 1223, 1088, 711, 735, 1279, 172, 1098, 1242, 410, 657, 1410, 351, 914, 1068, 1338, 12, 954, 1014, 745, 646, 1367, 518, 815, 177, 919, 1236, 1082, 1081, 756, 710, 435, 1163, 967, 1125, 324, 1161, 411, 1246, 924, 1000, 603, 379, 486, 146, 552, 1165, 772, 101, 743, 92, 1252, 765, 1018], [308, 933, 458, 949, 418, 66, 1024, 679, 162, 1228, 1189, 75, 205, 658, 163, 160, 871, 943, 436, 90, 239, 574, 339, 1092, 1226, 448, 1124, 973, 918, 650, 99, 297, 823, 1091, 360, 460, 1284, 630, 1293, 167, 156, 1369, 385, 1249, 207, 202, 388, 587, 159, 513, 637, 343, 864, 931, 642, 399, 203, 850, 371, 25, 983, 963, 841, 717, 810, 1210, 230, 438, 488, 525, 131, 1050, 1214, 929, 1112, 1348, 184, 988, 1422, 316, 775, 440, 152, 1069, 1044, 1218, 1409, 326, 1351, 278, 68, 8, 1267, 257, 1368, 1070, 1066, 1245, 1343, 1366, 1332, 835, 1415, 110, 94, 37, 732, 1269, 917, 1079, 801, 1286, 902, 992, 895, 1251, 1083, 1118, 1012, 800, 1255, 648, 520, 1326, 283, 302, 776, 305, 246, 330, 550, 1025, 1131, 1004, 228, 1078, 799, 197, 45, 809, 899, 422, 1157], [571, 1027, 1051, 1145, 1037, 1219, 475, 259, 1099, 540, 667, 1229, 1059, 484, 692, 812, 1303, 1166, 573, 1425, 639, 699, 1285, 720, 697, 522, 960, 1225, 60, 982, 797, 940, 1231, 1386, 911, 396, 1258, 1241, 930, 358, 1396, 1113, 1065, 47, 703, 139, 1371, 1046, 1117, 390, 511, 537, 512, 851, 708, 341, 187, 1133, 1402, 1154, 264, 1330, 180, 181, 407, 1207, 839, 526, 1270, 808, 1172, 1250, 964, 738, 236, 766, 925, 1041, 591, 1017, 984, 832, 1408, 119, 870, 677, 1275, 1243, 328, 995, 173, 865, 32, 977, 922, 1358, 352, 1347, 1192, 447, 93, 1193, 1381, 955, 315, 877, 192, 70, 622, 4, 627, 427, 1052, 926, 49, 63, 802, 149, 480, 631, 906, 285, 218, 382, 549, 1114, 381, 565, 1147, 891, 194, 243, 1089, 1355, 817, 608, 256, 1212, 986, 600, 733, 890, 1077], [1100, 1334, 660, 1061, 467, 737, 291, 446, 852, 1266, 190, 356, 948, 1261, 557, 1126, 73, 724, 1329, 71, 1390, 868, 394, 1102, 1197, 583, 431, 1076, 791, 1235, 463, 1149, 1388, 901, 253, 1205, 1317, 1080, 439, 373, 1006, 154, 1361, 626, 46, 1376, 153, 1350, 105, 1122, 921, 1115, 1206, 491, 882, 807, 691, 1121, 806, 87, 1134, 907, 1168, 114, 423, 240, 364, 734, 1085, 620, 859, 13, 1086, 1339, 1307, 1325, 1139, 635, 290, 607, 126, 237, 751, 1057, 1, 898, 238, 892, 994, 1007, 260, 579, 956, 965, 1377, 1005, 1137, 453, 1073, 429, 1380, 874, 828, 279, 175, 796, 845, 176, 1074, 80, 553, 200, 840, 668, 426, 14, 521, 769, 787, 1295, 633, 566, 675, 784, 1103, 329, 747, 900, 514, 1104, 981, 684, 481, 593, 619, 375, 0, 1202, 1203, 1282, 605, 704]]]", "target_feature": "pXC50", "tags": [], "collections": [], "suggest": { "input": [ "Supervised Regression", "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL2014", "Custom 10-fold Crossvalidation", "[[[1178, 927, 317, 1209, 67, 417, 780, 416, 409, 1363, 934, 1008, 223, 1244, 91, 449, 1268, 867, 312, 781, 1152, 7, 222, 715, 764, 15, 1272, 1035, 1140, 272, 1151, 774, 1127, 442, 262, 1047, 1257, 1055, 231, 632, 1312, 1359, 939, 1356, 82, 233, 296, 1300, 689, 783, 215, 391, 342, 138, 894, 611, 555, 269, 78, 1129, 368, 1315, 779, 367, 1150, 971, 1195, 499, 1291, 713, 319, 183, 1031, 659, 842, 1256, 718, 201, 996, 885, 1156, 1227, 641, 730, 41, 1216, 866, 1271, 470, 327, 831, 908, 469, 563, 909, 350, 33, 96, 1107, 731, 43, 736, 59, 280, 301, 347, 517, 1002, 1248, 1382, 255, 597, 430, 104, 509, 419, 757, 36, 1111, 1281, 811, 383, 1265, 978, 844, 1393, 331, 406, 472, 485, 212, 211, 251, 376, 1213, 515, 1418, 754, 1262, 1181, 701, 144], [687, 1033, 497, 889, 970, 836, 975, 1190, 1327, 466, 935, 1404, 1016, 86, 1233, 847, 1311, 482, 878, 1029, 652, 1230, 1294, 241, 785, 340, 309, 594, 559, 338, 97, 335, 1128, 1240, 524, 944, 1385, 1309, 1096, 1160, 155, 1336, 357, 300, 1020, 249, 739, 1353, 295, 1030, 883, 674, 196, 158, 113, 676, 804, 1365, 490, 716, 487, 1316, 116, 937, 748, 250, 752, 950, 968, 501, 912, 476, 232, 672, 1296, 623, 234, 457, 384, 420, 548, 125, 115, 792, 227, 1318, 216, 151, 941, 277, 42, 702, 204, 1413, 27, 1159, 310, 62, 81, 881, 1048, 562, 1397, 1298, 1142, 998, 1290, 397, 451, 649, 441, 556, 292, 527, 698, 581, 873, 1032, 1349, 932, 860, 1412, 628, 1254, 1247, 629, 957, 354, 585, 465, 753, 813, 1108, 816, 378, 976, 128, 6, 287, 700, 225, 72], [140, 164, 1144, 577, 174, 495, 1310, 990, 1424, 1094, 1360, 1093, 572, 1260, 1276, 1306, 966, 1375, 678, 403, 755, 401, 108, 1319, 707, 261, 523, 168, 1179, 432, 169, 421, 712, 683, 962, 510, 709, 834, 1015, 586, 538, 112, 412, 369, 546, 433, 459, 1299, 1237, 570, 833, 1053, 544, 229, 1304, 498, 182, 107, 1215, 318, 185, 693, 186, 961, 969, 1383, 103, 1362, 124, 38, 1173, 742, 1340, 590, 220, 972, 915, 1399, 29, 170, 1130, 1072, 561, 1400, 530, 770, 53, 825, 120, 85, 28, 1023, 1419, 1110, 719, 1148, 714, 1067, 1357, 1075, 1416, 188, 22, 23, 95, 271, 554, 1101, 48, 299, 598, 795, 945, 478, 425, 923, 321, 584, 913, 353, 803, 621, 402, 666, 1036, 199, 55, 616, 682, 897, 1011, 788, 147, 887, 980, 64, 1105, 473, 805, 141, 79, 284, 374], [536, 596, 289, 773, 57, 1313, 1394, 56, 1328, 690, 415, 40, 161, 872, 16, 483, 286, 1259, 11, 361, 1232, 558, 1141, 313, 337, 1301, 843, 503, 681, 1234, 462, 1321, 395, 1420, 1364, 1384, 98, 507, 1034, 1064, 749, 398, 1354, 647, 1392, 344, 821, 235, 320, 258, 1174, 1120, 875, 191, 54, 613, 568, 612, 134, 1185, 132, 985, 533, 471, 888, 644, 303, 400, 150, 670, 951, 532, 76, 117, 680, 1188, 531, 1308, 325, 560, 529, 121, 829, 1345, 1026, 494, 663, 1324, 245, 1071, 793, 1221, 665, 1288, 346, 83, 454, 450, 1391, 26, 1352, 35, 298, 266, 508, 655, 1314, 728, 1170, 404, 1417, 213, 946, 1162, 479, 1217, 582, 242, 1411, 1028, 282, 551, 145, 744, 1146, 771, 377, 959, 148, 1274, 444, 838, 725, 1199, 564, 721, 142, 334, 437, 516, 1009, 539, 1040], [673, 1389, 5, 492, 595, 1421, 445, 826, 1090, 695, 39, 1204, 1273, 760, 493, 496, 1406, 17, 1013, 1143, 777, 1198, 1344, 1003, 789, 857, 1277, 88, 896, 1401, 576, 1337, 274, 9, 386, 1169, 1042, 1045, 1135, 1374, 1049, 1346, 854, 1153, 372, 741, 1176, 958, 1132, 365, 179, 997, 1180, 136, 636, 656, 818, 288, 1058, 625, 604, 942, 1370, 477, 1398, 122, 759, 671, 123, 740, 661, 505, 189, 452, 618, 987, 1414, 51, 263, 578, 304, 1302, 171, 77, 947, 686, 953, 543, 1201, 545, 349, 270, 44, 1331, 662, 651, 1164, 345, 916, 1373, 206, 1372, 1136, 727, 786, 314, 21, 348, 1405, 653, 778, 69, 428, 519, 214, 294, 106, 1171, 645, 634, 822, 952, 1264, 567, 380, 474, 127, 535, 1323, 209, 798, 332, 424, 1253, 333, 1220, 640, 876, 723, 1155, 1194, 820, 609], [1182, 2, 893, 824, 685, 20, 111, 588, 165, 602, 1208, 1183, 989, 726, 763, 1238, 195, 1087, 705, 654, 1056, 1395, 858, 362, 130, 1177, 61, 688, 790, 1039, 1378, 1054, 336, 1097, 1287, 461, 273, 1187, 1109, 247, 1211, 224, 389, 370, 24, 758, 782, 746, 1186, 137, 1175, 1123, 10, 849, 392, 366, 879, 393, 135, 861, 768, 1095, 254, 862, 541, 102, 276, 1379, 880, 1119, 936, 489, 193, 275, 762, 910, 443, 830, 819, 669, 837, 506, 74, 293, 504, 1084, 1063, 606, 468, 542, 52, 30, 1001, 1387, 1010, 999, 18, 534, 615, 221, 884, 1297, 58, 1158, 456, 601, 198, 1038, 589, 979, 993, 217, 34, 761, 904, 848, 434, 252, 794, 363, 1019, 1022, 1283, 1263, 569, 1423, 248, 210, 500, 729, 268, 617, 129, 464, 1021, 408, 814, 575, 863, 19, 208, 143, 1200], [265, 1403, 1167, 3, 1184, 694, 614, 355, 853, 750, 1305, 1060, 610, 65, 1224, 1292, 1322, 502, 109, 1062, 643, 974, 696, 856, 767, 322, 166, 920, 323, 267, 638, 1116, 886, 219, 722, 846, 307, 50, 1289, 1407, 869, 827, 414, 706, 387, 455, 1341, 1342, 31, 1106, 664, 244, 547, 905, 89, 1043, 157, 991, 178, 1196, 359, 903, 413, 1222, 133, 599, 1280, 405, 592, 306, 938, 1278, 928, 855, 624, 1335, 1138, 226, 1333, 1191, 528, 311, 580, 1320, 281, 100, 84, 118, 1239, 1223, 1088, 711, 735, 1279, 172, 1098, 1242, 410, 657, 1410, 351, 914, 1068, 1338, 12, 954, 1014, 745, 646, 1367, 518, 815, 177, 919, 1236, 1082, 1081, 756, 710, 435, 1163, 967, 1125, 324, 1161, 411, 1246, 924, 1000, 603, 379, 486, 146, 552, 1165, 772, 101, 743, 92, 1252, 765, 1018], [308, 933, 458, 949, 418, 66, 1024, 679, 162, 1228, 1189, 75, 205, 658, 163, 160, 871, 943, 436, 90, 239, 574, 339, 1092, 1226, 448, 1124, 973, 918, 650, 99, 297, 823, 1091, 360, 460, 1284, 630, 1293, 167, 156, 1369, 385, 1249, 207, 202, 388, 587, 159, 513, 637, 343, 864, 931, 642, 399, 203, 850, 371, 25, 983, 963, 841, 717, 810, 1210, 230, 438, 488, 525, 131, 1050, 1214, 929, 1112, 1348, 184, 988, 1422, 316, 775, 440, 152, 1069, 1044, 1218, 1409, 326, 1351, 278, 68, 8, 1267, 257, 1368, 1070, 1066, 1245, 1343, 1366, 1332, 835, 1415, 110, 94, 37, 732, 1269, 917, 1079, 801, 1286, 902, 992, 895, 1251, 1083, 1118, 1012, 800, 1255, 648, 520, 1326, 283, 302, 776, 305, 246, 330, 550, 1025, 1131, 1004, 228, 1078, 799, 197, 45, 809, 899, 422, 1157], [571, 1027, 1051, 1145, 1037, 1219, 475, 259, 1099, 540, 667, 1229, 1059, 484, 692, 812, 1303, 1166, 573, 1425, 639, 699, 1285, 720, 697, 522, 960, 1225, 60, 982, 797, 940, 1231, 1386, 911, 396, 1258, 1241, 930, 358, 1396, 1113, 1065, 47, 703, 139, 1371, 1046, 1117, 390, 511, 537, 512, 851, 708, 341, 187, 1133, 1402, 1154, 264, 1330, 180, 181, 407, 1207, 839, 526, 1270, 808, 1172, 1250, 964, 738, 236, 766, 925, 1041, 591, 1017, 984, 832, 1408, 119, 870, 677, 1275, 1243, 328, 995, 173, 865, 32, 977, 922, 1358, 352, 1347, 1192, 447, 93, 1193, 1381, 955, 315, 877, 192, 70, 622, 4, 627, 427, 1052, 926, 49, 63, 802, 149, 480, 631, 906, 285, 218, 382, 549, 1114, 381, 565, 1147, 891, 194, 243, 1089, 1355, 817, 608, 256, 1212, 986, 600, 733, 890, 1077], [1100, 1334, 660, 1061, 467, 737, 291, 446, 852, 1266, 190, 356, 948, 1261, 557, 1126, 73, 724, 1329, 71, 1390, 868, 394, 1102, 1197, 583, 431, 1076, 791, 1235, 463, 1149, 1388, 901, 253, 1205, 1317, 1080, 439, 373, 1006, 154, 1361, 626, 46, 1376, 153, 1350, 105, 1122, 921, 1115, 1206, 491, 882, 807, 691, 1121, 806, 87, 1134, 907, 1168, 114, 423, 240, 364, 734, 1085, 620, 859, 13, 1086, 1339, 1307, 1325, 1139, 635, 290, 607, 126, 237, 751, 1057, 1, 898, 238, 892, 994, 1007, 260, 579, 956, 965, 1377, 1005, 1137, 453, 1073, 429, 1380, 874, 828, 279, 175, 796, 845, 176, 1074, 80, 553, 200, 840, 668, 426, 14, 521, 769, 787, 1295, 633, 566, 675, 784, 1103, 329, 747, 900, 514, 1104, 981, 684, 481, 593, 619, 375, 0, 1202, 1203, 1282, 605, 704]]]", "pXC50" ], "weight": "3" }, "nr_of_issues": 0, "nr_of_downvotes": 0, "nr_of_likes": 0, "nr_of_downloads": 0, "total_downloads": 0, "reach": 0, "reuse": 0, "impact_of_reuse": 0, "reach_of_reuse": 0, "impact": 0 }