{ "task_id": "101898", "runs": 1, "visibility": "public", "embargo_end_date": null, "tasktype": { "tt_id": 2, "name": "Supervised Regression" }, "date": "2016-07-18 12:32:30", "uploader_id": "62", "source_data": { "type": "Dataset", "data_id": "33430", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293286" }, "estimation_procedure": { "type": "Estimation Procedure", "proc_id": "24", "name": "Custom 10-fold Crossvalidation" }, "custom_testset": "[[[1303, 854, 129, 1279, 78, 56, 14, 987, 343, 1, 9, 0, 705, 298, 236, 1040, 730, 725, 385, 444, 723, 1014, 623, 208, 1125, 638, 31, 594, 36, 58, 914, 233, 1047, 314, 241, 354, 871, 970, 167, 50, 30, 285, 1361, 84, 533, 1202, 1087, 1200, 1065, 1371, 966, 226, 69, 917, 484, 1070, 956, 965, 331, 601, 1178, 952, 491, 816, 1401, 132, 388, 339, 1272, 91, 2, 415, 312, 630, 342, 83, 1116, 929, 1204, 667, 1369, 427, 672, 362, 606, 789, 1291, 696, 1278, 114, 1075, 375, 508, 1169, 1213, 885, 897, 562, 201, 32, 568, 960, 554, 449, 3, 710, 910, 230, 1228, 1013, 180, 653, 252, 42, 425, 428, 57, 178, 657, 615, 261, 907, 515, 1309, 377, 1225, 1346, 507, 115, 109, 477, 883, 452, 1016, 1000, 921, 1273, 1012, 456, 669, 513], [565, 1307, 393, 668, 948, 319, 1048, 703, 102, 255, 181, 1183, 874, 165, 152, 126, 924, 837, 1251, 977, 1227, 1205, 845, 738, 688, 272, 608, 323, 585, 294, 225, 1350, 1274, 1172, 544, 753, 870, 1117, 1131, 1255, 617, 580, 476, 771, 119, 1331, 815, 649, 116, 414, 21, 1081, 853, 406, 676, 660, 534, 796, 523, 1244, 420, 758, 1103, 1211, 291, 485, 957, 493, 15, 804, 520, 751, 141, 74, 104, 1136, 930, 962, 1352, 144, 223, 280, 234, 1299, 1105, 978, 779, 592, 1218, 895, 941, 1405, 1051, 993, 1036, 543, 809, 411, 757, 598, 1192, 1118, 490, 616, 996, 483, 382, 66, 538, 1060, 242, 371, 164, 862, 85, 829, 761, 1286, 1167, 1243, 1034, 991, 922, 97, 731, 1057, 1313, 766, 188, 482, 1185, 702, 569, 237, 332, 316, 153, 682, 1332, 1344, 43], [65, 79, 706, 1372, 1336, 1181, 187, 344, 719, 557, 401, 184, 574, 279, 368, 350, 876, 1088, 724, 46, 1335, 774, 469, 413, 644, 716, 989, 1086, 48, 971, 213, 1008, 988, 409, 269, 855, 1364, 353, 1362, 39, 365, 113, 572, 1340, 811, 290, 267, 1247, 500, 122, 140, 1076, 221, 392, 805, 742, 398, 1043, 890, 1330, 1289, 715, 1203, 338, 834, 529, 999, 92, 473, 423, 658, 1130, 610, 1063, 1037, 661, 927, 41, 1212, 300, 835, 1301, 458, 550, 247, 421, 928, 200, 586, 22, 634, 603, 1162, 1326, 1156, 1035, 249, 535, 289, 108, 211, 120, 1321, 803, 88, 1044, 1068, 357, 684, 768, 694, 101, 1403, 168, 400, 992, 881, 918, 1123, 1354, 664, 920, 540, 1295, 418, 857, 1089, 258, 17, 220, 273, 1258, 800, 793, 728, 1267, 54, 1050, 1297, 161, 826], [163, 142, 1071, 1152, 776, 370, 1164, 315, 16, 408, 28, 1085, 474, 1238, 1280, 812, 1232, 1113, 655, 1271, 539, 479, 471, 886, 198, 470, 849, 1108, 894, 578, 964, 942, 1189, 123, 125, 652, 946, 739, 575, 494, 1230, 147, 1246, 395, 527, 1158, 262, 1175, 422, 813, 135, 24, 611, 963, 405, 794, 345, 760, 1138, 156, 752, 1234, 597, 277, 1233, 23, 997, 76, 821, 717, 67, 707, 1376, 1399, 137, 146, 990, 938, 1351, 844, 37, 593, 19, 1026, 878, 340, 807, 327, 729, 1257, 932, 407, 347, 441, 215, 1248, 1062, 825, 1150, 378, 1078, 511, 1322, 265, 1287, 671, 648, 967, 872, 27, 307, 504, 1304, 698, 639, 839, 410, 1397, 670, 1021, 748, 1375, 1001, 286, 1147, 1015, 810, 1241, 448, 665, 651, 68, 75, 82, 1217, 1104, 1119, 903, 1221, 1042], [654, 591, 489, 328, 1134, 431, 1317, 1112, 1174, 1177, 440, 683, 103, 1148, 1265, 889, 773, 1074, 1220, 681, 861, 1191, 464, 321, 417, 934, 1358, 1032, 548, 1219, 510, 1109, 5, 656, 317, 1114, 38, 254, 622, 663, 195, 1253, 628, 1231, 576, 636, 219, 1367, 1320, 106, 100, 480, 998, 686, 1102, 159, 944, 1406, 1327, 1324, 186, 986, 250, 666, 880, 795, 318, 118, 1345, 799, 445, 984, 174, 1122, 1045, 904, 830, 919, 246, 961, 819, 542, 1031, 151, 650, 840, 506, 457, 1262, 1020, 309, 609, 708, 969, 386, 516, 243, 1395, 13, 741, 1171, 512, 1389, 645, 697, 847, 426, 270, 558, 8, 1392, 856, 1049, 177, 383, 346, 162, 461, 1393, 138, 96, 351, 559, 1314, 210, 1385, 1165, 791, 320, 1010, 1107, 704, 90, 1080, 329, 1099, 750, 619, 1328, 860, 1260], [214, 459, 1132, 1384, 1402, 931, 693, 524, 99, 296, 1398, 1382, 44, 1038, 325, 759, 263, 1182, 1023, 356, 1270, 4, 47, 1170, 1144, 947, 808, 727, 416, 822, 367, 945, 802, 190, 155, 154, 784, 528, 935, 974, 145, 297, 64, 1315, 404, 635, 121, 968, 744, 700, 34, 629, 566, 232, 712, 1370, 509, 1208, 1188, 197, 183, 1194, 1394, 701, 231, 1111, 399, 1186, 556, 1110, 1018, 192, 389, 893, 521, 497, 248, 560, 60, 1325, 879, 454, 976, 1083, 906, 206, 1140, 1311, 244, 110, 127, 678, 1017, 468, 1166, 495, 530, 749, 642, 1302, 1155, 1127, 1126, 266, 299, 763, 709, 1275, 740, 1187, 61, 831, 746, 1176, 1390, 1226, 733, 430, 1263, 541, 1019, 438, 131, 281, 979, 435, 394, 1201, 501, 1005, 1296, 588, 1333, 472, 955, 1093, 1079, 1173, 196, 1053, 833], [1256, 228, 1124, 360, 790, 1115, 6, 33, 973, 892, 376, 828, 685, 1163, 182, 618, 77, 590, 981, 1072, 925, 271, 302, 1323, 659, 581, 950, 71, 259, 1310, 949, 18, 613, 35, 333, 436, 337, 1091, 1363, 369, 171, 1259, 1214, 1033, 467, 1097, 1069, 850, 1207, 782, 1305, 157, 349, 1067, 873, 26, 926, 1268, 134, 714, 1215, 1024, 481, 216, 777, 775, 10, 488, 1400, 251, 1343, 798, 817, 139, 105, 632, 764, 49, 882, 1222, 245, 975, 896, 359, 1096, 1141, 311, 274, 487, 737, 1316, 1292, 1245, 818, 502, 287, 1106, 951, 1098, 53, 1337, 1293, 814, 843, 624, 1142, 754, 959, 341, 1308, 1090, 1294, 451, 256, 884, 62, 40, 824, 1396, 117, 637, 781, 1190, 553, 29, 387, 366, 257, 322, 827, 1261, 756, 496, 446, 863, 673, 647, 561, 1348, 284, 1339], [462, 549, 1055, 1084, 1009, 643, 373, 1329, 112, 335, 133, 785, 1004, 570, 1129, 80, 1264, 936, 1365, 1082, 1073, 89, 324, 1239, 532, 361, 355, 868, 310, 55, 898, 552, 412, 503, 780, 943, 620, 25, 194, 994, 308, 1380, 130, 564, 166, 788, 1198, 1095, 625, 1002, 486, 787, 227, 1027, 170, 1209, 1197, 1341, 235, 792, 735, 680, 203, 12, 86, 1356, 51, 1168, 293, 95, 858, 887, 1334, 1374, 1061, 747, 442, 875, 596, 626, 1195, 1285, 755, 1160, 899, 587, 218, 45, 455, 191, 865, 911, 1029, 278, 1318, 915, 70, 1137, 522, 352, 363, 128, 1359, 567, 229, 7, 148, 20, 52, 175, 866, 433, 823, 379, 1199, 268, 288, 1306, 72, 283, 1210, 336, 1319, 801, 364, 783, 403, 1342, 1277, 1242, 1128, 1006, 662, 1298, 867, 193, 1387, 940, 1373, 63], [437, 111, 81, 179, 954, 806, 736, 1377, 224, 1007, 1135, 124, 631, 189, 1383, 1353, 1388, 848, 11, 1206, 891, 983, 207, 985, 358, 264, 1379, 905, 276, 743, 1143, 1281, 838, 107, 424, 443, 380, 726, 786, 1300, 1378, 1338, 149, 1153, 1145, 633, 600, 1223, 832, 1288, 1121, 745, 859, 901, 995, 526, 713, 475, 98, 434, 348, 199, 836, 1360, 1283, 202, 902, 1077, 1133, 313, 1349, 691, 1161, 953, 1028, 185, 1066, 1052, 87, 1120, 687, 204, 732, 463, 864, 841, 695, 571, 767, 1312, 1249, 253, 1381, 94, 584, 579, 1404, 374, 679, 1139, 525, 573, 330, 677, 1046, 419, 563, 547, 690, 1180, 136, 1054, 852, 1159, 692, 275, 217, 465, 900, 1022, 537, 1347, 172, 797, 1236, 205, 1179, 240, 1151, 640, 1025, 1235, 1284, 158, 908, 734, 536, 721, 301, 888, 675], [577, 607, 239, 1366, 372, 909, 1193, 305, 1269, 1250, 1094, 453, 260, 1229, 326, 1058, 1254, 303, 599, 1146, 546, 93, 478, 1059, 583, 545, 772, 1276, 770, 390, 1064, 1011, 447, 923, 589, 720, 1092, 1252, 306, 621, 295, 958, 531, 1149, 59, 1386, 877, 505, 402, 1184, 1003, 173, 1154, 627, 1196, 699, 381, 869, 1391, 582, 397, 1355, 514, 432, 282, 1030, 718, 499, 711, 646, 396, 722, 604, 238, 209, 555, 160, 778, 937, 769, 304, 551, 939, 641, 1100, 1216, 518, 1224, 765, 1357, 1101, 980, 176, 73, 143, 1240, 982, 222, 851, 595, 492, 517, 391, 1368, 334, 1237, 1290, 689, 292, 1407, 674, 429, 912, 384, 913, 466, 820, 614, 212, 439, 612, 1056, 916, 150, 933, 1266, 846, 1041, 169, 460, 1157, 972, 1282, 1039, 842, 519, 762, 498, 605, 602, 450]]]", "target_feature": "pXC50", "tags": [], "collections": [], "suggest": { "input": [ "Supervised Regression", "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1293286", "Custom 10-fold Crossvalidation", "[[[1303, 854, 129, 1279, 78, 56, 14, 987, 343, 1, 9, 0, 705, 298, 236, 1040, 730, 725, 385, 444, 723, 1014, 623, 208, 1125, 638, 31, 594, 36, 58, 914, 233, 1047, 314, 241, 354, 871, 970, 167, 50, 30, 285, 1361, 84, 533, 1202, 1087, 1200, 1065, 1371, 966, 226, 69, 917, 484, 1070, 956, 965, 331, 601, 1178, 952, 491, 816, 1401, 132, 388, 339, 1272, 91, 2, 415, 312, 630, 342, 83, 1116, 929, 1204, 667, 1369, 427, 672, 362, 606, 789, 1291, 696, 1278, 114, 1075, 375, 508, 1169, 1213, 885, 897, 562, 201, 32, 568, 960, 554, 449, 3, 710, 910, 230, 1228, 1013, 180, 653, 252, 42, 425, 428, 57, 178, 657, 615, 261, 907, 515, 1309, 377, 1225, 1346, 507, 115, 109, 477, 883, 452, 1016, 1000, 921, 1273, 1012, 456, 669, 513], [565, 1307, 393, 668, 948, 319, 1048, 703, 102, 255, 181, 1183, 874, 165, 152, 126, 924, 837, 1251, 977, 1227, 1205, 845, 738, 688, 272, 608, 323, 585, 294, 225, 1350, 1274, 1172, 544, 753, 870, 1117, 1131, 1255, 617, 580, 476, 771, 119, 1331, 815, 649, 116, 414, 21, 1081, 853, 406, 676, 660, 534, 796, 523, 1244, 420, 758, 1103, 1211, 291, 485, 957, 493, 15, 804, 520, 751, 141, 74, 104, 1136, 930, 962, 1352, 144, 223, 280, 234, 1299, 1105, 978, 779, 592, 1218, 895, 941, 1405, 1051, 993, 1036, 543, 809, 411, 757, 598, 1192, 1118, 490, 616, 996, 483, 382, 66, 538, 1060, 242, 371, 164, 862, 85, 829, 761, 1286, 1167, 1243, 1034, 991, 922, 97, 731, 1057, 1313, 766, 188, 482, 1185, 702, 569, 237, 332, 316, 153, 682, 1332, 1344, 43], [65, 79, 706, 1372, 1336, 1181, 187, 344, 719, 557, 401, 184, 574, 279, 368, 350, 876, 1088, 724, 46, 1335, 774, 469, 413, 644, 716, 989, 1086, 48, 971, 213, 1008, 988, 409, 269, 855, 1364, 353, 1362, 39, 365, 113, 572, 1340, 811, 290, 267, 1247, 500, 122, 140, 1076, 221, 392, 805, 742, 398, 1043, 890, 1330, 1289, 715, 1203, 338, 834, 529, 999, 92, 473, 423, 658, 1130, 610, 1063, 1037, 661, 927, 41, 1212, 300, 835, 1301, 458, 550, 247, 421, 928, 200, 586, 22, 634, 603, 1162, 1326, 1156, 1035, 249, 535, 289, 108, 211, 120, 1321, 803, 88, 1044, 1068, 357, 684, 768, 694, 101, 1403, 168, 400, 992, 881, 918, 1123, 1354, 664, 920, 540, 1295, 418, 857, 1089, 258, 17, 220, 273, 1258, 800, 793, 728, 1267, 54, 1050, 1297, 161, 826], [163, 142, 1071, 1152, 776, 370, 1164, 315, 16, 408, 28, 1085, 474, 1238, 1280, 812, 1232, 1113, 655, 1271, 539, 479, 471, 886, 198, 470, 849, 1108, 894, 578, 964, 942, 1189, 123, 125, 652, 946, 739, 575, 494, 1230, 147, 1246, 395, 527, 1158, 262, 1175, 422, 813, 135, 24, 611, 963, 405, 794, 345, 760, 1138, 156, 752, 1234, 597, 277, 1233, 23, 997, 76, 821, 717, 67, 707, 1376, 1399, 137, 146, 990, 938, 1351, 844, 37, 593, 19, 1026, 878, 340, 807, 327, 729, 1257, 932, 407, 347, 441, 215, 1248, 1062, 825, 1150, 378, 1078, 511, 1322, 265, 1287, 671, 648, 967, 872, 27, 307, 504, 1304, 698, 639, 839, 410, 1397, 670, 1021, 748, 1375, 1001, 286, 1147, 1015, 810, 1241, 448, 665, 651, 68, 75, 82, 1217, 1104, 1119, 903, 1221, 1042], [654, 591, 489, 328, 1134, 431, 1317, 1112, 1174, 1177, 440, 683, 103, 1148, 1265, 889, 773, 1074, 1220, 681, 861, 1191, 464, 321, 417, 934, 1358, 1032, 548, 1219, 510, 1109, 5, 656, 317, 1114, 38, 254, 622, 663, 195, 1253, 628, 1231, 576, 636, 219, 1367, 1320, 106, 100, 480, 998, 686, 1102, 159, 944, 1406, 1327, 1324, 186, 986, 250, 666, 880, 795, 318, 118, 1345, 799, 445, 984, 174, 1122, 1045, 904, 830, 919, 246, 961, 819, 542, 1031, 151, 650, 840, 506, 457, 1262, 1020, 309, 609, 708, 969, 386, 516, 243, 1395, 13, 741, 1171, 512, 1389, 645, 697, 847, 426, 270, 558, 8, 1392, 856, 1049, 177, 383, 346, 162, 461, 1393, 138, 96, 351, 559, 1314, 210, 1385, 1165, 791, 320, 1010, 1107, 704, 90, 1080, 329, 1099, 750, 619, 1328, 860, 1260], [214, 459, 1132, 1384, 1402, 931, 693, 524, 99, 296, 1398, 1382, 44, 1038, 325, 759, 263, 1182, 1023, 356, 1270, 4, 47, 1170, 1144, 947, 808, 727, 416, 822, 367, 945, 802, 190, 155, 154, 784, 528, 935, 974, 145, 297, 64, 1315, 404, 635, 121, 968, 744, 700, 34, 629, 566, 232, 712, 1370, 509, 1208, 1188, 197, 183, 1194, 1394, 701, 231, 1111, 399, 1186, 556, 1110, 1018, 192, 389, 893, 521, 497, 248, 560, 60, 1325, 879, 454, 976, 1083, 906, 206, 1140, 1311, 244, 110, 127, 678, 1017, 468, 1166, 495, 530, 749, 642, 1302, 1155, 1127, 1126, 266, 299, 763, 709, 1275, 740, 1187, 61, 831, 746, 1176, 1390, 1226, 733, 430, 1263, 541, 1019, 438, 131, 281, 979, 435, 394, 1201, 501, 1005, 1296, 588, 1333, 472, 955, 1093, 1079, 1173, 196, 1053, 833], [1256, 228, 1124, 360, 790, 1115, 6, 33, 973, 892, 376, 828, 685, 1163, 182, 618, 77, 590, 981, 1072, 925, 271, 302, 1323, 659, 581, 950, 71, 259, 1310, 949, 18, 613, 35, 333, 436, 337, 1091, 1363, 369, 171, 1259, 1214, 1033, 467, 1097, 1069, 850, 1207, 782, 1305, 157, 349, 1067, 873, 26, 926, 1268, 134, 714, 1215, 1024, 481, 216, 777, 775, 10, 488, 1400, 251, 1343, 798, 817, 139, 105, 632, 764, 49, 882, 1222, 245, 975, 896, 359, 1096, 1141, 311, 274, 487, 737, 1316, 1292, 1245, 818, 502, 287, 1106, 951, 1098, 53, 1337, 1293, 814, 843, 624, 1142, 754, 959, 341, 1308, 1090, 1294, 451, 256, 884, 62, 40, 824, 1396, 117, 637, 781, 1190, 553, 29, 387, 366, 257, 322, 827, 1261, 756, 496, 446, 863, 673, 647, 561, 1348, 284, 1339], [462, 549, 1055, 1084, 1009, 643, 373, 1329, 112, 335, 133, 785, 1004, 570, 1129, 80, 1264, 936, 1365, 1082, 1073, 89, 324, 1239, 532, 361, 355, 868, 310, 55, 898, 552, 412, 503, 780, 943, 620, 25, 194, 994, 308, 1380, 130, 564, 166, 788, 1198, 1095, 625, 1002, 486, 787, 227, 1027, 170, 1209, 1197, 1341, 235, 792, 735, 680, 203, 12, 86, 1356, 51, 1168, 293, 95, 858, 887, 1334, 1374, 1061, 747, 442, 875, 596, 626, 1195, 1285, 755, 1160, 899, 587, 218, 45, 455, 191, 865, 911, 1029, 278, 1318, 915, 70, 1137, 522, 352, 363, 128, 1359, 567, 229, 7, 148, 20, 52, 175, 866, 433, 823, 379, 1199, 268, 288, 1306, 72, 283, 1210, 336, 1319, 801, 364, 783, 403, 1342, 1277, 1242, 1128, 1006, 662, 1298, 867, 193, 1387, 940, 1373, 63], [437, 111, 81, 179, 954, 806, 736, 1377, 224, 1007, 1135, 124, 631, 189, 1383, 1353, 1388, 848, 11, 1206, 891, 983, 207, 985, 358, 264, 1379, 905, 276, 743, 1143, 1281, 838, 107, 424, 443, 380, 726, 786, 1300, 1378, 1338, 149, 1153, 1145, 633, 600, 1223, 832, 1288, 1121, 745, 859, 901, 995, 526, 713, 475, 98, 434, 348, 199, 836, 1360, 1283, 202, 902, 1077, 1133, 313, 1349, 691, 1161, 953, 1028, 185, 1066, 1052, 87, 1120, 687, 204, 732, 463, 864, 841, 695, 571, 767, 1312, 1249, 253, 1381, 94, 584, 579, 1404, 374, 679, 1139, 525, 573, 330, 677, 1046, 419, 563, 547, 690, 1180, 136, 1054, 852, 1159, 692, 275, 217, 465, 900, 1022, 537, 1347, 172, 797, 1236, 205, 1179, 240, 1151, 640, 1025, 1235, 1284, 158, 908, 734, 536, 721, 301, 888, 675], [577, 607, 239, 1366, 372, 909, 1193, 305, 1269, 1250, 1094, 453, 260, 1229, 326, 1058, 1254, 303, 599, 1146, 546, 93, 478, 1059, 583, 545, 772, 1276, 770, 390, 1064, 1011, 447, 923, 589, 720, 1092, 1252, 306, 621, 295, 958, 531, 1149, 59, 1386, 877, 505, 402, 1184, 1003, 173, 1154, 627, 1196, 699, 381, 869, 1391, 582, 397, 1355, 514, 432, 282, 1030, 718, 499, 711, 646, 396, 722, 604, 238, 209, 555, 160, 778, 937, 769, 304, 551, 939, 641, 1100, 1216, 518, 1224, 765, 1357, 1101, 980, 176, 73, 143, 1240, 982, 222, 851, 595, 492, 517, 391, 1368, 334, 1237, 1290, 689, 292, 1407, 674, 429, 912, 384, 913, 466, 820, 614, 212, 439, 612, 1056, 916, 150, 933, 1266, 846, 1041, 169, 460, 1157, 972, 1282, 1039, 842, 519, 762, 498, 605, 602, 450]]]", "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 }