{ "task_id": "106070", "runs": 2, "visibility": "public", "embargo_end_date": null, "tasktype": { "tt_id": 2, "name": "Supervised Regression" }, "date": "2016-07-18 13:42:00", "uploader_id": "62", "source_data": { "type": "Dataset", "data_id": "37635", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1855" }, "estimation_procedure": { "type": "Estimation Procedure", "proc_id": "24", "name": "Custom 10-fold Crossvalidation" }, "custom_testset": "[[[1327, 26, 4, 941, 1345, 584, 1322, 1342, 712, 904, 877, 69, 1093, 697, 187, 1098, 701, 953, 657, 782, 926, 935, 1178, 109, 164, 1301, 843, 833, 177, 381, 314, 133, 1286, 360, 348, 668, 161, 548, 906, 287, 597, 108, 115, 215, 1165, 853, 135, 456, 869, 54, 1201, 317, 1318, 349, 784, 536, 1081, 1275, 647, 623, 991, 493, 398, 47, 118, 250, 97, 477, 534, 205, 695, 569, 826, 563, 149, 491, 91, 1288, 301, 144, 325, 268, 11, 1082, 987, 571, 24, 914, 1024, 292, 67, 1304, 173, 1039, 1203, 333, 631, 1083, 1339, 76, 162, 644, 1065, 847, 1215, 792, 932, 949, 197, 781, 1276, 227, 1139, 152, 208, 403, 266, 1232, 1153, 455, 1076, 1260, 192, 408, 552, 742, 99, 735, 672, 538, 1218, 988, 451, 789, 1296, 331], [1068, 262, 821, 110, 175, 1356, 839, 1312, 1279, 1337, 438, 801, 1112, 351, 1347, 1271, 873, 81, 699, 323, 1106, 274, 1116, 937, 973, 1191, 259, 1026, 1121, 719, 414, 1225, 77, 418, 195, 860, 361, 378, 1303, 675, 169, 457, 693, 676, 52, 160, 708, 981, 1334, 764, 1027, 806, 1128, 151, 178, 532, 319, 882, 330, 980, 1302, 364, 1073, 66, 289, 809, 1278, 1110, 256, 734, 1048, 656, 938, 870, 1044, 400, 155, 1307, 94, 116, 849, 1311, 915, 811, 19, 1298, 956, 344, 130, 461, 96, 129, 434, 501, 596, 1077, 257, 890, 486, 794, 131, 1080, 986, 20, 1264, 805, 618, 318, 172, 49, 40, 595, 561, 955, 71, 411, 624, 673, 982, 787, 580, 1325, 658, 1359, 1019, 225, 1208, 1029, 1202, 423, 64, 922, 1169, 703, 30, 1287], [1226, 117, 769, 120, 334, 1255, 280, 1261, 299, 450, 255, 577, 582, 239, 203, 335, 706, 490, 498, 780, 9, 1003, 897, 341, 670, 1206, 1239, 1177, 1004, 1324, 102, 1104, 691, 315, 537, 1040, 600, 347, 1221, 1291, 1167, 407, 1012, 1055, 793, 1033, 627, 399, 830, 291, 939, 1184, 1258, 772, 921, 489, 684, 517, 492, 863, 14, 366, 29, 1242, 585, 767, 725, 459, 7, 145, 1043, 1022, 574, 523, 974, 511, 436, 1230, 1008, 338, 760, 293, 664, 79, 478, 204, 891, 724, 184, 1045, 1075, 819, 404, 1306, 845, 446, 1267, 865, 1041, 557, 910, 1047, 43, 396, 1050, 234, 309, 1155, 1238, 465, 464, 134, 613, 342, 1195, 786, 515, 745, 665, 632, 550, 1269, 367, 1353, 1253, 963, 1054, 524, 449, 452, 220, 1254, 705, 93, 731, 442], [74, 1234, 590, 244, 254, 428, 617, 698, 1118, 820, 1028, 389, 1328, 824, 468, 1170, 1145, 306, 1308, 1204, 180, 310, 288, 104, 1247, 603, 56, 285, 739, 413, 57, 710, 35, 576, 777, 1289, 702, 817, 379, 505, 1222, 417, 692, 957, 395, 1, 950, 217, 667, 272, 662, 992, 920, 1290, 946, 943, 741, 1036, 1259, 1180, 210, 471, 831, 704, 1025, 1240, 779, 232, 648, 785, 626, 758, 798, 593, 485, 962, 430, 559, 916, 22, 470, 984, 1086, 621, 494, 996, 770, 815, 1236, 851, 1142, 592, 1005, 521, 669, 5, 397, 101, 198, 1115, 1344, 51, 462, 313, 497, 678, 1095, 1228, 1117, 516, 799, 1152, 1305, 999, 1196, 1091, 660, 223, 607, 757, 302, 281, 182, 564, 284, 893, 1141, 1181, 373, 158, 1340, 312, 290, 1059, 1049, 1014], [936, 947, 488, 774, 1352, 646, 352, 357, 350, 977, 343, 1350, 902, 1023, 1002, 609, 75, 818, 807, 888, 1094, 1046, 1319, 1175, 714, 1335, 235, 298, 41, 87, 652, 286, 1220, 970, 480, 682, 92, 329, 586, 960, 900, 1057, 533, 1332, 827, 551, 1249, 1199, 530, 1164, 1148, 615, 928, 401, 1309, 1135, 842, 1066, 15, 1020, 1032, 728, 1186, 680, 1210, 730, 918, 1159, 923, 886, 1103, 1163, 754, 473, 337, 944, 416, 346, 37, 165, 854, 1343, 13, 126, 1009, 1246, 1017, 1160, 1193, 1144, 429, 63, 294, 415, 634, 846, 606, 707, 1192, 0, 985, 1101, 1190, 270, 386, 80, 267, 864, 443, 1295, 228, 1070, 16, 402, 113, 83, 138, 968, 194, 1042, 1200, 1209, 422, 249, 332, 687, 1317, 474, 940, 1182, 788, 565, 1154, 157, 601, 1262], [148, 975, 1354, 65, 1355, 432, 1351, 136, 738, 933, 1129, 709, 1161, 463, 1001, 871, 1166, 237, 881, 816, 995, 762, 1315, 1248, 1150, 384, 1216, 822, 248, 927, 547, 297, 1037, 1299, 553, 271, 1224, 1316, 218, 1198, 163, 763, 1321, 796, 566, 1084, 1052, 640, 28, 369, 1330, 32, 993, 23, 766, 406, 1346, 503, 866, 328, 778, 183, 444, 353, 275, 1212, 1056, 1360, 1333, 392, 435, 875, 261, 1284, 1252, 912, 502, 62, 637, 638, 345, 964, 755, 850, 142, 240, 1123, 111, 481, 324, 483, 460, 21, 34, 836, 507, 1157, 296, 746, 70, 1079, 686, 1109, 753, 238, 496, 1162, 765, 679, 53, 295, 578, 1060, 666, 132, 390, 591, 150, 68, 700, 1173, 1217, 147, 661, 543, 1358, 382, 650, 426, 509, 823, 518, 363, 542, 221, 539, 1250], [795, 526, 191, 749, 1357, 1127, 622, 3, 1241, 694, 629, 156, 252, 1277, 61, 1256, 747, 419, 898, 1090, 46, 1297, 247, 1257, 50, 458, 605, 901, 394, 1176, 487, 276, 1069, 479, 525, 803, 1085, 556, 322, 519, 188, 409, 1146, 907, 748, 718, 848, 614, 1338, 200, 683, 441, 589, 146, 1096, 159, 1183, 645, 445, 880, 1227, 466, 212, 1072, 856, 211, 1038, 775, 971, 529, 611, 776, 1187, 720, 560, 1188, 1323, 202, 230, 540, 887, 814, 359, 1320, 911, 674, 336, 260, 243, 300, 1035, 554, 189, 635, 1272, 978, 1349, 1273, 1137, 1119, 931, 642, 1130, 127, 581, 25, 812, 1207, 1000, 431, 1235, 206, 643, 73, 1134, 685, 972, 1071, 1197, 804, 878, 942, 176, 879, 527, 620, 224, 838, 852, 374, 1233, 377, 773, 828, 1006, 153], [1064, 723, 433, 1113, 229, 279, 1018, 308, 771, 952, 961, 1336, 555, 90, 273, 6, 263, 1120, 1280, 768, 1114, 715, 193, 506, 1237, 966, 1149, 876, 610, 1361, 832, 895, 808, 861, 387, 1341, 1231, 500, 368, 1172, 630, 1174, 307, 1051, 1100, 1007, 89, 112, 18, 587, 1087, 594, 216, 649, 917, 447, 340, 783, 690, 929, 653, 979, 872, 245, 651, 713, 190, 989, 269, 1185, 311, 639, 1102, 114, 1331, 1314, 214, 969, 925, 858, 1133, 320, 990, 1124, 27, 174, 608, 1031, 31, 1011, 45, 420, 106, 141, 181, 125, 55, 616, 277, 844, 834, 1283, 813, 625, 128, 10, 727, 575, 1156, 677, 1214, 954, 1078, 246, 959, 761, 1016, 339, 476, 759, 689, 588, 726, 86, 965, 1268, 1285, 448, 425, 579, 810, 17, 427, 253, 405, 825, 541], [105, 283, 1326, 241, 958, 857, 385, 840, 495, 790, 88, 688, 388, 903, 659, 358, 1213, 236, 602, 98, 251, 1021, 1067, 867, 383, 371, 8, 167, 48, 512, 356, 60, 568, 393, 179, 894, 1061, 1294, 514, 1074, 528, 1015, 170, 572, 103, 655, 513, 522, 207, 716, 1211, 654, 1329, 39, 467, 355, 633, 2, 219, 535, 440, 1108, 1097, 841, 743, 376, 484, 855, 107, 562, 482, 1310, 736, 265, 797, 681, 1010, 1243, 1348, 835, 1263, 121, 119, 1158, 264, 636, 1132, 1111, 278, 1313, 722, 1063, 44, 1125, 95, 1245, 1088, 919, 889, 410, 573, 209, 663, 186, 628, 545, 154, 1229, 38, 1143, 930, 998, 1122, 909, 751, 391, 671, 421, 143, 868, 641, 424, 226, 168, 1058, 499, 72, 504, 82, 1300, 85, 469, 510, 282, 1136, 140], [12, 531, 558, 1062, 1293, 612, 362, 997, 740, 439, 196, 733, 874, 924, 696, 139, 752, 321, 454, 913, 546, 327, 567, 899, 802, 892, 1270, 58, 896, 1281, 934, 258, 36, 1105, 437, 1171, 1223, 951, 983, 100, 1219, 908, 1089, 1034, 453, 166, 1013, 729, 1092, 59, 1107, 1292, 304, 233, 583, 1244, 717, 185, 570, 122, 1131, 370, 885, 213, 1189, 242, 508, 326, 859, 1179, 1274, 599, 721, 199, 837, 84, 42, 948, 1168, 1053, 544, 800, 711, 945, 354, 123, 1151, 1266, 1138, 829, 1030, 732, 791, 520, 33, 756, 744, 1126, 862, 750, 201, 1265, 967, 1147, 316, 598, 1099, 994, 1282, 1251, 472, 412, 1194, 372, 549, 604, 475, 303, 380, 171, 78, 737, 619, 976, 884, 365, 905, 375, 1140, 231, 883, 124, 137, 222, 1205, 305]]]", "target_feature": "pXC50", "tags": [], "collections": [], "suggest": { "input": [ "Supervised Regression", "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL1855", "Custom 10-fold Crossvalidation", "[[[1327, 26, 4, 941, 1345, 584, 1322, 1342, 712, 904, 877, 69, 1093, 697, 187, 1098, 701, 953, 657, 782, 926, 935, 1178, 109, 164, 1301, 843, 833, 177, 381, 314, 133, 1286, 360, 348, 668, 161, 548, 906, 287, 597, 108, 115, 215, 1165, 853, 135, 456, 869, 54, 1201, 317, 1318, 349, 784, 536, 1081, 1275, 647, 623, 991, 493, 398, 47, 118, 250, 97, 477, 534, 205, 695, 569, 826, 563, 149, 491, 91, 1288, 301, 144, 325, 268, 11, 1082, 987, 571, 24, 914, 1024, 292, 67, 1304, 173, 1039, 1203, 333, 631, 1083, 1339, 76, 162, 644, 1065, 847, 1215, 792, 932, 949, 197, 781, 1276, 227, 1139, 152, 208, 403, 266, 1232, 1153, 455, 1076, 1260, 192, 408, 552, 742, 99, 735, 672, 538, 1218, 988, 451, 789, 1296, 331], [1068, 262, 821, 110, 175, 1356, 839, 1312, 1279, 1337, 438, 801, 1112, 351, 1347, 1271, 873, 81, 699, 323, 1106, 274, 1116, 937, 973, 1191, 259, 1026, 1121, 719, 414, 1225, 77, 418, 195, 860, 361, 378, 1303, 675, 169, 457, 693, 676, 52, 160, 708, 981, 1334, 764, 1027, 806, 1128, 151, 178, 532, 319, 882, 330, 980, 1302, 364, 1073, 66, 289, 809, 1278, 1110, 256, 734, 1048, 656, 938, 870, 1044, 400, 155, 1307, 94, 116, 849, 1311, 915, 811, 19, 1298, 956, 344, 130, 461, 96, 129, 434, 501, 596, 1077, 257, 890, 486, 794, 131, 1080, 986, 20, 1264, 805, 618, 318, 172, 49, 40, 595, 561, 955, 71, 411, 624, 673, 982, 787, 580, 1325, 658, 1359, 1019, 225, 1208, 1029, 1202, 423, 64, 922, 1169, 703, 30, 1287], [1226, 117, 769, 120, 334, 1255, 280, 1261, 299, 450, 255, 577, 582, 239, 203, 335, 706, 490, 498, 780, 9, 1003, 897, 341, 670, 1206, 1239, 1177, 1004, 1324, 102, 1104, 691, 315, 537, 1040, 600, 347, 1221, 1291, 1167, 407, 1012, 1055, 793, 1033, 627, 399, 830, 291, 939, 1184, 1258, 772, 921, 489, 684, 517, 492, 863, 14, 366, 29, 1242, 585, 767, 725, 459, 7, 145, 1043, 1022, 574, 523, 974, 511, 436, 1230, 1008, 338, 760, 293, 664, 79, 478, 204, 891, 724, 184, 1045, 1075, 819, 404, 1306, 845, 446, 1267, 865, 1041, 557, 910, 1047, 43, 396, 1050, 234, 309, 1155, 1238, 465, 464, 134, 613, 342, 1195, 786, 515, 745, 665, 632, 550, 1269, 367, 1353, 1253, 963, 1054, 524, 449, 452, 220, 1254, 705, 93, 731, 442], [74, 1234, 590, 244, 254, 428, 617, 698, 1118, 820, 1028, 389, 1328, 824, 468, 1170, 1145, 306, 1308, 1204, 180, 310, 288, 104, 1247, 603, 56, 285, 739, 413, 57, 710, 35, 576, 777, 1289, 702, 817, 379, 505, 1222, 417, 692, 957, 395, 1, 950, 217, 667, 272, 662, 992, 920, 1290, 946, 943, 741, 1036, 1259, 1180, 210, 471, 831, 704, 1025, 1240, 779, 232, 648, 785, 626, 758, 798, 593, 485, 962, 430, 559, 916, 22, 470, 984, 1086, 621, 494, 996, 770, 815, 1236, 851, 1142, 592, 1005, 521, 669, 5, 397, 101, 198, 1115, 1344, 51, 462, 313, 497, 678, 1095, 1228, 1117, 516, 799, 1152, 1305, 999, 1196, 1091, 660, 223, 607, 757, 302, 281, 182, 564, 284, 893, 1141, 1181, 373, 158, 1340, 312, 290, 1059, 1049, 1014], [936, 947, 488, 774, 1352, 646, 352, 357, 350, 977, 343, 1350, 902, 1023, 1002, 609, 75, 818, 807, 888, 1094, 1046, 1319, 1175, 714, 1335, 235, 298, 41, 87, 652, 286, 1220, 970, 480, 682, 92, 329, 586, 960, 900, 1057, 533, 1332, 827, 551, 1249, 1199, 530, 1164, 1148, 615, 928, 401, 1309, 1135, 842, 1066, 15, 1020, 1032, 728, 1186, 680, 1210, 730, 918, 1159, 923, 886, 1103, 1163, 754, 473, 337, 944, 416, 346, 37, 165, 854, 1343, 13, 126, 1009, 1246, 1017, 1160, 1193, 1144, 429, 63, 294, 415, 634, 846, 606, 707, 1192, 0, 985, 1101, 1190, 270, 386, 80, 267, 864, 443, 1295, 228, 1070, 16, 402, 113, 83, 138, 968, 194, 1042, 1200, 1209, 422, 249, 332, 687, 1317, 474, 940, 1182, 788, 565, 1154, 157, 601, 1262], [148, 975, 1354, 65, 1355, 432, 1351, 136, 738, 933, 1129, 709, 1161, 463, 1001, 871, 1166, 237, 881, 816, 995, 762, 1315, 1248, 1150, 384, 1216, 822, 248, 927, 547, 297, 1037, 1299, 553, 271, 1224, 1316, 218, 1198, 163, 763, 1321, 796, 566, 1084, 1052, 640, 28, 369, 1330, 32, 993, 23, 766, 406, 1346, 503, 866, 328, 778, 183, 444, 353, 275, 1212, 1056, 1360, 1333, 392, 435, 875, 261, 1284, 1252, 912, 502, 62, 637, 638, 345, 964, 755, 850, 142, 240, 1123, 111, 481, 324, 483, 460, 21, 34, 836, 507, 1157, 296, 746, 70, 1079, 686, 1109, 753, 238, 496, 1162, 765, 679, 53, 295, 578, 1060, 666, 132, 390, 591, 150, 68, 700, 1173, 1217, 147, 661, 543, 1358, 382, 650, 426, 509, 823, 518, 363, 542, 221, 539, 1250], [795, 526, 191, 749, 1357, 1127, 622, 3, 1241, 694, 629, 156, 252, 1277, 61, 1256, 747, 419, 898, 1090, 46, 1297, 247, 1257, 50, 458, 605, 901, 394, 1176, 487, 276, 1069, 479, 525, 803, 1085, 556, 322, 519, 188, 409, 1146, 907, 748, 718, 848, 614, 1338, 200, 683, 441, 589, 146, 1096, 159, 1183, 645, 445, 880, 1227, 466, 212, 1072, 856, 211, 1038, 775, 971, 529, 611, 776, 1187, 720, 560, 1188, 1323, 202, 230, 540, 887, 814, 359, 1320, 911, 674, 336, 260, 243, 300, 1035, 554, 189, 635, 1272, 978, 1349, 1273, 1137, 1119, 931, 642, 1130, 127, 581, 25, 812, 1207, 1000, 431, 1235, 206, 643, 73, 1134, 685, 972, 1071, 1197, 804, 878, 942, 176, 879, 527, 620, 224, 838, 852, 374, 1233, 377, 773, 828, 1006, 153], [1064, 723, 433, 1113, 229, 279, 1018, 308, 771, 952, 961, 1336, 555, 90, 273, 6, 263, 1120, 1280, 768, 1114, 715, 193, 506, 1237, 966, 1149, 876, 610, 1361, 832, 895, 808, 861, 387, 1341, 1231, 500, 368, 1172, 630, 1174, 307, 1051, 1100, 1007, 89, 112, 18, 587, 1087, 594, 216, 649, 917, 447, 340, 783, 690, 929, 653, 979, 872, 245, 651, 713, 190, 989, 269, 1185, 311, 639, 1102, 114, 1331, 1314, 214, 969, 925, 858, 1133, 320, 990, 1124, 27, 174, 608, 1031, 31, 1011, 45, 420, 106, 141, 181, 125, 55, 616, 277, 844, 834, 1283, 813, 625, 128, 10, 727, 575, 1156, 677, 1214, 954, 1078, 246, 959, 761, 1016, 339, 476, 759, 689, 588, 726, 86, 965, 1268, 1285, 448, 425, 579, 810, 17, 427, 253, 405, 825, 541], [105, 283, 1326, 241, 958, 857, 385, 840, 495, 790, 88, 688, 388, 903, 659, 358, 1213, 236, 602, 98, 251, 1021, 1067, 867, 383, 371, 8, 167, 48, 512, 356, 60, 568, 393, 179, 894, 1061, 1294, 514, 1074, 528, 1015, 170, 572, 103, 655, 513, 522, 207, 716, 1211, 654, 1329, 39, 467, 355, 633, 2, 219, 535, 440, 1108, 1097, 841, 743, 376, 484, 855, 107, 562, 482, 1310, 736, 265, 797, 681, 1010, 1243, 1348, 835, 1263, 121, 119, 1158, 264, 636, 1132, 1111, 278, 1313, 722, 1063, 44, 1125, 95, 1245, 1088, 919, 889, 410, 573, 209, 663, 186, 628, 545, 154, 1229, 38, 1143, 930, 998, 1122, 909, 751, 391, 671, 421, 143, 868, 641, 424, 226, 168, 1058, 499, 72, 504, 82, 1300, 85, 469, 510, 282, 1136, 140], [12, 531, 558, 1062, 1293, 612, 362, 997, 740, 439, 196, 733, 874, 924, 696, 139, 752, 321, 454, 913, 546, 327, 567, 899, 802, 892, 1270, 58, 896, 1281, 934, 258, 36, 1105, 437, 1171, 1223, 951, 983, 100, 1219, 908, 1089, 1034, 453, 166, 1013, 729, 1092, 59, 1107, 1292, 304, 233, 583, 1244, 717, 185, 570, 122, 1131, 370, 885, 213, 1189, 242, 508, 326, 859, 1179, 1274, 599, 721, 199, 837, 84, 42, 948, 1168, 1053, 544, 800, 711, 945, 354, 123, 1151, 1266, 1138, 829, 1030, 732, 791, 520, 33, 756, 744, 1126, 862, 750, 201, 1265, 967, 1147, 316, 598, 1099, 994, 1282, 1251, 472, 412, 1194, 372, 549, 604, 475, 303, 380, 171, 78, 737, 619, 976, 884, 365, 905, 375, 1140, 231, 883, 124, 137, 222, 1205, 305]]]", "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 }