{ "task_id": "93069", "runs": 3, "visibility": "public", "embargo_end_date": null, "tasktype": { "tt_id": 2, "name": "Supervised Regression" }, "date": "2016-07-18 10:12:59", "uploader_id": "62", "source_data": { "type": "Dataset", "data_id": "24524", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL213" }, "estimation_procedure": { "type": "Estimation Procedure", "proc_id": "24", "name": "Custom 10-fold Crossvalidation" }, "custom_testset": "[[[1155, 1196, 935, 1330, 515, 1275, 1, 843, 727, 895, 1074, 229, 1160, 119, 423, 319, 1263, 148, 301, 522, 1412, 747, 482, 331, 181, 248, 430, 36, 476, 1091, 1339, 1043, 114, 677, 1121, 1380, 375, 337, 1274, 1247, 674, 1368, 485, 144, 1110, 469, 1012, 46, 645, 639, 169, 10, 171, 198, 474, 120, 892, 1290, 1389, 233, 1163, 762, 594, 562, 26, 1072, 100, 669, 104, 1042, 295, 187, 1175, 1038, 449, 819, 613, 709, 1139, 659, 1248, 1365, 1244, 1331, 856, 862, 564, 1188, 736, 1372, 694, 953, 1377, 126, 1126, 1078, 237, 511, 1315, 91, 68, 1066, 118, 177, 615, 75, 965, 77, 231, 506, 210, 1016, 687, 211, 159, 662, 43, 1335, 184, 437, 329, 620, 779, 665, 921, 333, 647, 351, 766, 440, 1395, 1325, 1384, 200, 1204, 143, 1336, 288, 442, 897, 1157, 204], [1142, 899, 1061, 1032, 141, 396, 57, 735, 1378, 293, 1256, 637, 812, 849, 249, 811, 1349, 51, 297, 223, 1340, 162, 490, 433, 1351, 1334, 676, 99, 478, 493, 479, 1187, 1278, 1213, 298, 695, 189, 1393, 756, 8, 969, 1298, 1035, 473, 290, 944, 261, 1195, 531, 451, 845, 1209, 932, 116, 1293, 642, 795, 501, 1260, 269, 753, 908, 1264, 1321, 588, 774, 1174, 1332, 458, 378, 607, 282, 957, 131, 1001, 786, 1041, 1226, 870, 672, 1236, 1249, 723, 1113, 1397, 629, 554, 966, 110, 327, 420, 90, 1186, 42, 751, 425, 1363, 1232, 209, 355, 498, 768, 732, 234, 710, 217, 354, 574, 893, 1228, 468, 929, 357, 457, 640, 1076, 18, 726, 1050, 551, 946, 1075, 1300, 783, 874, 955, 1206, 245, 15, 225, 52, 858, 649, 995, 369, 294, 411, 328, 704, 850, 292], [767, 771, 745, 257, 1394, 58, 1199, 566, 616, 1223, 585, 556, 224, 54, 586, 71, 822, 275, 255, 720, 1410, 542, 466, 260, 306, 523, 1328, 621, 483, 982, 1294, 563, 873, 1208, 772, 60, 22, 567, 527, 154, 218, 1217, 1254, 1308, 191, 529, 838, 855, 25, 528, 168, 356, 252, 166, 878, 851, 4, 913, 21, 591, 1409, 635, 313, 1302, 652, 933, 581, 781, 188, 1022, 1179, 954, 242, 1082, 49, 215, 362, 632, 394, 1002, 1118, 400, 276, 1360, 906, 1120, 754, 377, 172, 1003, 403, 417, 299, 538, 67, 780, 213, 928, 748, 681, 314, 992, 1131, 507, 684, 1286, 426, 139, 790, 1343, 79, 207, 415, 69, 543, 1004, 1141, 598, 572, 332, 278, 1361, 776, 820, 962, 927, 47, 999, 441, 1034, 1168, 947, 48, 2, 366, 617, 1281, 27, 138, 755, 1242, 1099], [853, 222, 1048, 1289, 1379, 920, 1191, 63, 344, 1112, 155, 64, 317, 1240, 455, 979, 803, 1283, 539, 38, 247, 496, 62, 877, 886, 668, 627, 1102, 876, 793, 264, 902, 536, 724, 220, 614, 471, 460, 444, 226, 1205, 984, 824, 80, 165, 540, 1114, 801, 1396, 868, 593, 88, 324, 338, 102, 764, 699, 1346, 787, 33, 17, 1202, 757, 186, 1081, 967, 530, 943, 1201, 1225, 1200, 655, 1311, 859, 381, 1101, 364, 456, 1411, 89, 784, 393, 535, 693, 1344, 1381, 513, 977, 358, 663, 882, 74, 296, 1221, 752, 1224, 343, 1250, 239, 806, 715, 739, 76, 872, 418, 837, 147, 1304, 1405, 537, 1305, 208, 570, 23, 289, 702, 475, 1068, 1284, 828, 303, 869, 1130, 1124, 219, 318, 1104, 50, 973, 825, 866, 1051, 1071, 700, 448, 963, 16, 145, 450, 968, 205, 367], [514, 558, 32, 972, 504, 628, 1049, 1010, 651, 53, 1046, 254, 547, 431, 956, 386, 370, 1147, 595, 880, 349, 1310, 6, 465, 1140, 259, 1401, 1341, 429, 265, 1183, 703, 137, 266, 491, 267, 1148, 359, 1023, 896, 1364, 714, 408, 127, 583, 1063, 263, 1329, 472, 1287, 1253, 840, 167, 170, 1210, 325, 664, 489, 221, 706, 464, 1402, 532, 1084, 1090, 195, 576, 1353, 410, 1047, 592, 1354, 818, 1373, 361, 579, 636, 835, 565, 101, 55, 769, 273, 336, 1151, 833, 271, 316, 1169, 1399, 667, 371, 1165, 1006, 713, 661, 24, 1295, 404, 1088, 65, 29, 173, 66, 701, 1031, 230, 960, 508, 1159, 459, 1059, 630, 106, 406, 323, 1313, 989, 805, 1216, 353, 59, 1145, 925, 92, 1096, 552, 1129, 1127, 600, 760, 1288, 253, 911, 975, 816, 1054, 1306, 1070, 605, 827], [689, 722, 1318, 1198, 690, 112, 1382, 146, 560, 387, 1309, 424, 1039, 1182, 346, 307, 35, 163, 1296, 656, 61, 1089, 1197, 990, 1087, 541, 477, 698, 931, 826, 124, 374, 521, 1370, 568, 342, 1011, 861, 1257, 1171, 1125, 95, 1319, 461, 115, 952, 156, 524, 1252, 345, 1149, 1366, 503, 763, 890, 196, 746, 1268, 185, 578, 879, 1324, 1255, 1383, 1021, 34, 379, 884, 274, 686, 1116, 1117, 363, 1062, 1009, 1030, 1337, 134, 270, 844, 638, 688, 1080, 719, 1270, 1350, 1079, 402, 199, 510, 1056, 1345, 1333, 1178, 14, 153, 799, 272, 534, 407, 382, 107, 1013, 1064, 37, 1299, 384, 462, 1356, 841, 1173, 974, 958, 1323, 1267, 940, 78, 683, 235, 711, 997, 918, 1017, 919, 599, 414, 938, 1172, 971, 549, 658, 312, 206, 246, 201, 604, 389, 1398, 1307, 1094, 618], [959, 1320, 1164, 347, 903, 82, 1212, 1406, 1111, 1044, 348, 1045, 1029, 1285, 85, 996, 671, 1312, 1057, 130, 480, 611, 164, 97, 885, 1156, 741, 1237, 1234, 98, 1194, 1018, 834, 160, 492, 350, 520, 179, 804, 268, 13, 612, 1357, 216, 802, 1229, 486, 1192, 773, 1135, 192, 443, 311, 1385, 287, 1220, 904, 1007, 1106, 150, 1093, 561, 829, 197, 622, 1233, 1150, 589, 334, 1211, 796, 696, 582, 322, 279, 610, 281, 83, 775, 679, 409, 831, 136, 20, 842, 241, 1292, 1123, 981, 391, 41, 1138, 335, 512, 907, 917, 848, 937, 788, 280, 109, 1392, 368, 986, 1132, 300, 744, 405, 1215, 809, 1266, 399, 1222, 157, 340, 243, 794, 244, 1154, 634, 1014, 1036, 557, 673, 435, 12, 789, 436, 1144, 302, 438, 836, 1388, 11, 1352, 603, 546, 1219, 898, 619, 1218], [778, 256, 1027, 308, 111, 421, 428, 817, 422, 388, 587, 597, 446, 857, 961, 277, 738, 894, 28, 915, 108, 1085, 495, 161, 1086, 798, 56, 740, 680, 1408, 1316, 1185, 1103, 1019, 30, 519, 742, 1158, 988, 1109, 1058, 1277, 467, 1100, 1273, 544, 470, 1326, 434, 452, 1069, 250, 190, 1375, 814, 339, 45, 823, 262, 283, 96, 1265, 194, 1276, 623, 717, 341, 1152, 682, 1028, 813, 1161, 923, 666, 559, 1327, 360, 1000, 705, 1107, 1404, 887, 132, 980, 1258, 533, 685, 372, 1162, 991, 1282, 553, 125, 416, 936, 1314, 447, 1060, 401, 716, 993, 383, 1358, 309, 454, 509, 1279, 113, 488, 730, 643, 1065, 352, 330, 1203, 203, 398, 149, 70, 926, 133, 1092, 964, 985, 1227, 1374, 653, 193, 1115, 602, 758, 1055, 1098, 1025, 800, 9, 625, 785, 1235, 626, 912], [1262, 516, 584, 1303, 1026, 934, 721, 916, 815, 978, 258, 596, 743, 976, 948, 494, 321, 373, 285, 1280, 847, 502, 970, 631, 675, 123, 901, 1122, 129, 395, 888, 1403, 1387, 1317, 178, 1342, 526, 865, 1362, 770, 142, 315, 251, 889, 1167, 291, 994, 151, 326, 1230, 93, 525, 670, 891, 305, 505, 1386, 232, 657, 860, 644, 31, 39, 580, 697, 1137, 103, 1355, 84, 1261, 808, 791, 914, 1239, 1053, 949, 380, 183, 810, 707, 728, 1170, 392, 761, 376, 390, 571, 1037, 1207, 1180, 174, 286, 691, 1322, 175, 1241, 864, 1301, 1133, 94, 3, 1020, 867, 987, 883, 122, 930, 236, 575, 427, 397, 909, 497, 140, 839, 212, 1231, 573, 569, 750, 1181, 1214, 1246, 725, 924, 734, 678, 439, 550, 797, 310, 548, 601, 1166, 832, 1095, 365, 998, 905, 7, 606], [1272, 1040, 1400, 517, 650, 72, 624, 1033, 228, 86, 1008, 1297, 945, 481, 731, 1245, 1238, 1024, 463, 128, 518, 1097, 1251, 1391, 863, 1189, 821, 951, 654, 484, 718, 487, 1108, 81, 900, 445, 1193, 983, 846, 792, 646, 608, 87, 609, 1073, 1338, 1176, 577, 152, 759, 939, 284, 1184, 499, 555, 1136, 1390, 1128, 1367, 500, 590, 1259, 830, 1005, 765, 692, 545, 1015, 19, 1243, 633, 1269, 214, 660, 240, 182, 180, 712, 135, 73, 782, 1119, 432, 1177, 304, 40, 941, 1359, 238, 105, 453, 1347, 852, 1105, 1077, 117, 176, 807, 922, 385, 1134, 419, 158, 121, 871, 854, 777, 910, 1271, 950, 1153, 202, 1413, 749, 1369, 733, 729, 44, 5, 1052, 1190, 1067, 1146, 1291, 1143, 1407, 641, 648, 708, 320, 1371, 0, 737, 1376, 875, 413, 1348, 412, 227, 942, 881, 1083]]]", "target_feature": "pXC50", "tags": [], "collections": [], "suggest": { "input": [ "Supervised Regression", "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL213", "Custom 10-fold Crossvalidation", "[[[1155, 1196, 935, 1330, 515, 1275, 1, 843, 727, 895, 1074, 229, 1160, 119, 423, 319, 1263, 148, 301, 522, 1412, 747, 482, 331, 181, 248, 430, 36, 476, 1091, 1339, 1043, 114, 677, 1121, 1380, 375, 337, 1274, 1247, 674, 1368, 485, 144, 1110, 469, 1012, 46, 645, 639, 169, 10, 171, 198, 474, 120, 892, 1290, 1389, 233, 1163, 762, 594, 562, 26, 1072, 100, 669, 104, 1042, 295, 187, 1175, 1038, 449, 819, 613, 709, 1139, 659, 1248, 1365, 1244, 1331, 856, 862, 564, 1188, 736, 1372, 694, 953, 1377, 126, 1126, 1078, 237, 511, 1315, 91, 68, 1066, 118, 177, 615, 75, 965, 77, 231, 506, 210, 1016, 687, 211, 159, 662, 43, 1335, 184, 437, 329, 620, 779, 665, 921, 333, 647, 351, 766, 440, 1395, 1325, 1384, 200, 1204, 143, 1336, 288, 442, 897, 1157, 204], [1142, 899, 1061, 1032, 141, 396, 57, 735, 1378, 293, 1256, 637, 812, 849, 249, 811, 1349, 51, 297, 223, 1340, 162, 490, 433, 1351, 1334, 676, 99, 478, 493, 479, 1187, 1278, 1213, 298, 695, 189, 1393, 756, 8, 969, 1298, 1035, 473, 290, 944, 261, 1195, 531, 451, 845, 1209, 932, 116, 1293, 642, 795, 501, 1260, 269, 753, 908, 1264, 1321, 588, 774, 1174, 1332, 458, 378, 607, 282, 957, 131, 1001, 786, 1041, 1226, 870, 672, 1236, 1249, 723, 1113, 1397, 629, 554, 966, 110, 327, 420, 90, 1186, 42, 751, 425, 1363, 1232, 209, 355, 498, 768, 732, 234, 710, 217, 354, 574, 893, 1228, 468, 929, 357, 457, 640, 1076, 18, 726, 1050, 551, 946, 1075, 1300, 783, 874, 955, 1206, 245, 15, 225, 52, 858, 649, 995, 369, 294, 411, 328, 704, 850, 292], [767, 771, 745, 257, 1394, 58, 1199, 566, 616, 1223, 585, 556, 224, 54, 586, 71, 822, 275, 255, 720, 1410, 542, 466, 260, 306, 523, 1328, 621, 483, 982, 1294, 563, 873, 1208, 772, 60, 22, 567, 527, 154, 218, 1217, 1254, 1308, 191, 529, 838, 855, 25, 528, 168, 356, 252, 166, 878, 851, 4, 913, 21, 591, 1409, 635, 313, 1302, 652, 933, 581, 781, 188, 1022, 1179, 954, 242, 1082, 49, 215, 362, 632, 394, 1002, 1118, 400, 276, 1360, 906, 1120, 754, 377, 172, 1003, 403, 417, 299, 538, 67, 780, 213, 928, 748, 681, 314, 992, 1131, 507, 684, 1286, 426, 139, 790, 1343, 79, 207, 415, 69, 543, 1004, 1141, 598, 572, 332, 278, 1361, 776, 820, 962, 927, 47, 999, 441, 1034, 1168, 947, 48, 2, 366, 617, 1281, 27, 138, 755, 1242, 1099], [853, 222, 1048, 1289, 1379, 920, 1191, 63, 344, 1112, 155, 64, 317, 1240, 455, 979, 803, 1283, 539, 38, 247, 496, 62, 877, 886, 668, 627, 1102, 876, 793, 264, 902, 536, 724, 220, 614, 471, 460, 444, 226, 1205, 984, 824, 80, 165, 540, 1114, 801, 1396, 868, 593, 88, 324, 338, 102, 764, 699, 1346, 787, 33, 17, 1202, 757, 186, 1081, 967, 530, 943, 1201, 1225, 1200, 655, 1311, 859, 381, 1101, 364, 456, 1411, 89, 784, 393, 535, 693, 1344, 1381, 513, 977, 358, 663, 882, 74, 296, 1221, 752, 1224, 343, 1250, 239, 806, 715, 739, 76, 872, 418, 837, 147, 1304, 1405, 537, 1305, 208, 570, 23, 289, 702, 475, 1068, 1284, 828, 303, 869, 1130, 1124, 219, 318, 1104, 50, 973, 825, 866, 1051, 1071, 700, 448, 963, 16, 145, 450, 968, 205, 367], [514, 558, 32, 972, 504, 628, 1049, 1010, 651, 53, 1046, 254, 547, 431, 956, 386, 370, 1147, 595, 880, 349, 1310, 6, 465, 1140, 259, 1401, 1341, 429, 265, 1183, 703, 137, 266, 491, 267, 1148, 359, 1023, 896, 1364, 714, 408, 127, 583, 1063, 263, 1329, 472, 1287, 1253, 840, 167, 170, 1210, 325, 664, 489, 221, 706, 464, 1402, 532, 1084, 1090, 195, 576, 1353, 410, 1047, 592, 1354, 818, 1373, 361, 579, 636, 835, 565, 101, 55, 769, 273, 336, 1151, 833, 271, 316, 1169, 1399, 667, 371, 1165, 1006, 713, 661, 24, 1295, 404, 1088, 65, 29, 173, 66, 701, 1031, 230, 960, 508, 1159, 459, 1059, 630, 106, 406, 323, 1313, 989, 805, 1216, 353, 59, 1145, 925, 92, 1096, 552, 1129, 1127, 600, 760, 1288, 253, 911, 975, 816, 1054, 1306, 1070, 605, 827], [689, 722, 1318, 1198, 690, 112, 1382, 146, 560, 387, 1309, 424, 1039, 1182, 346, 307, 35, 163, 1296, 656, 61, 1089, 1197, 990, 1087, 541, 477, 698, 931, 826, 124, 374, 521, 1370, 568, 342, 1011, 861, 1257, 1171, 1125, 95, 1319, 461, 115, 952, 156, 524, 1252, 345, 1149, 1366, 503, 763, 890, 196, 746, 1268, 185, 578, 879, 1324, 1255, 1383, 1021, 34, 379, 884, 274, 686, 1116, 1117, 363, 1062, 1009, 1030, 1337, 134, 270, 844, 638, 688, 1080, 719, 1270, 1350, 1079, 402, 199, 510, 1056, 1345, 1333, 1178, 14, 153, 799, 272, 534, 407, 382, 107, 1013, 1064, 37, 1299, 384, 462, 1356, 841, 1173, 974, 958, 1323, 1267, 940, 78, 683, 235, 711, 997, 918, 1017, 919, 599, 414, 938, 1172, 971, 549, 658, 312, 206, 246, 201, 604, 389, 1398, 1307, 1094, 618], [959, 1320, 1164, 347, 903, 82, 1212, 1406, 1111, 1044, 348, 1045, 1029, 1285, 85, 996, 671, 1312, 1057, 130, 480, 611, 164, 97, 885, 1156, 741, 1237, 1234, 98, 1194, 1018, 834, 160, 492, 350, 520, 179, 804, 268, 13, 612, 1357, 216, 802, 1229, 486, 1192, 773, 1135, 192, 443, 311, 1385, 287, 1220, 904, 1007, 1106, 150, 1093, 561, 829, 197, 622, 1233, 1150, 589, 334, 1211, 796, 696, 582, 322, 279, 610, 281, 83, 775, 679, 409, 831, 136, 20, 842, 241, 1292, 1123, 981, 391, 41, 1138, 335, 512, 907, 917, 848, 937, 788, 280, 109, 1392, 368, 986, 1132, 300, 744, 405, 1215, 809, 1266, 399, 1222, 157, 340, 243, 794, 244, 1154, 634, 1014, 1036, 557, 673, 435, 12, 789, 436, 1144, 302, 438, 836, 1388, 11, 1352, 603, 546, 1219, 898, 619, 1218], [778, 256, 1027, 308, 111, 421, 428, 817, 422, 388, 587, 597, 446, 857, 961, 277, 738, 894, 28, 915, 108, 1085, 495, 161, 1086, 798, 56, 740, 680, 1408, 1316, 1185, 1103, 1019, 30, 519, 742, 1158, 988, 1109, 1058, 1277, 467, 1100, 1273, 544, 470, 1326, 434, 452, 1069, 250, 190, 1375, 814, 339, 45, 823, 262, 283, 96, 1265, 194, 1276, 623, 717, 341, 1152, 682, 1028, 813, 1161, 923, 666, 559, 1327, 360, 1000, 705, 1107, 1404, 887, 132, 980, 1258, 533, 685, 372, 1162, 991, 1282, 553, 125, 416, 936, 1314, 447, 1060, 401, 716, 993, 383, 1358, 309, 454, 509, 1279, 113, 488, 730, 643, 1065, 352, 330, 1203, 203, 398, 149, 70, 926, 133, 1092, 964, 985, 1227, 1374, 653, 193, 1115, 602, 758, 1055, 1098, 1025, 800, 9, 625, 785, 1235, 626, 912], [1262, 516, 584, 1303, 1026, 934, 721, 916, 815, 978, 258, 596, 743, 976, 948, 494, 321, 373, 285, 1280, 847, 502, 970, 631, 675, 123, 901, 1122, 129, 395, 888, 1403, 1387, 1317, 178, 1342, 526, 865, 1362, 770, 142, 315, 251, 889, 1167, 291, 994, 151, 326, 1230, 93, 525, 670, 891, 305, 505, 1386, 232, 657, 860, 644, 31, 39, 580, 697, 1137, 103, 1355, 84, 1261, 808, 791, 914, 1239, 1053, 949, 380, 183, 810, 707, 728, 1170, 392, 761, 376, 390, 571, 1037, 1207, 1180, 174, 286, 691, 1322, 175, 1241, 864, 1301, 1133, 94, 3, 1020, 867, 987, 883, 122, 930, 236, 575, 427, 397, 909, 497, 140, 839, 212, 1231, 573, 569, 750, 1181, 1214, 1246, 725, 924, 734, 678, 439, 550, 797, 310, 548, 601, 1166, 832, 1095, 365, 998, 905, 7, 606], [1272, 1040, 1400, 517, 650, 72, 624, 1033, 228, 86, 1008, 1297, 945, 481, 731, 1245, 1238, 1024, 463, 128, 518, 1097, 1251, 1391, 863, 1189, 821, 951, 654, 484, 718, 487, 1108, 81, 900, 445, 1193, 983, 846, 792, 646, 608, 87, 609, 1073, 1338, 1176, 577, 152, 759, 939, 284, 1184, 499, 555, 1136, 1390, 1128, 1367, 500, 590, 1259, 830, 1005, 765, 692, 545, 1015, 19, 1243, 633, 1269, 214, 660, 240, 182, 180, 712, 135, 73, 782, 1119, 432, 1177, 304, 40, 941, 1359, 238, 105, 453, 1347, 852, 1105, 1077, 117, 176, 807, 922, 385, 1134, 419, 158, 121, 871, 854, 777, 910, 1271, 950, 1153, 202, 1413, 749, 1369, 733, 729, 44, 5, 1052, 1190, 1067, 1146, 1291, 1143, 1407, 641, 648, 708, 320, 1371, 0, 737, 1376, 875, 413, 1348, 412, 227, 942, 881, 1083]]]", "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 }