{ "task_id": "97079", "runs": 3, "visibility": "public", "embargo_end_date": null, "tasktype": { "tt_id": 2, "name": "Supervised Regression" }, "date": "2016-07-18 11:16:35", "uploader_id": "62", "source_data": { "type": "Dataset", "data_id": "28572", "name": "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3976" }, "estimation_procedure": { "type": "Estimation Procedure", "proc_id": "24", "name": "Custom 10-fold Crossvalidation" }, "custom_testset": "[[[563, 620, 350, 143, 1237, 870, 1201, 1273, 474, 119, 917, 641, 1283, 966, 116, 461, 1157, 519, 1193, 1006, 876, 432, 248, 604, 314, 325, 1310, 12, 144, 211, 1213, 472, 217, 497, 1095, 992, 1148, 54, 1150, 660, 543, 1018, 1147, 990, 631, 627, 90, 994, 1133, 1060, 1125, 797, 268, 628, 102, 1134, 730, 806, 1348, 1219, 652, 661, 256, 344, 1187, 1222, 662, 794, 882, 682, 438, 41, 1285, 1045, 477, 182, 1033, 1347, 875, 920, 179, 731, 670, 655, 106, 508, 1175, 803, 1207, 478, 1166, 331, 349, 1108, 951, 112, 133, 175, 7, 113, 1218, 1316, 1131, 288, 395, 522, 897, 968, 1203, 976, 28, 1196, 671, 905, 914, 91, 81, 744, 902, 590, 540, 941, 76, 586, 159, 1085, 379, 577, 1050, 448, 779, 185, 1017, 51, 393], [345, 337, 476, 1230, 610, 178, 1163, 784, 498, 1063, 754, 518, 793, 591, 1062, 426, 161, 520, 963, 399, 958, 336, 1276, 431, 575, 1195, 1031, 972, 634, 1009, 1245, 1301, 505, 1116, 1099, 866, 13, 558, 1076, 851, 60, 654, 1093, 1281, 1258, 666, 864, 1238, 1243, 1254, 170, 101, 1308, 1178, 1340, 195, 32, 1224, 457, 95, 605, 74, 1035, 889, 158, 98, 799, 956, 215, 341, 834, 713, 1022, 601, 319, 804, 607, 275, 464, 808, 107, 1160, 691, 789, 721, 997, 734, 1341, 57, 626, 1240, 617, 372, 1236, 440, 1324, 1350, 216, 969, 690, 294, 702, 1144, 701, 8, 753, 736, 937, 1210, 1242, 199, 561, 579, 25, 913, 79, 289, 668, 404, 445, 1079, 545, 1155, 589, 1146, 1094, 1080, 1228, 771, 154, 835, 400, 1232, 234, 796, 923], [1120, 785, 388, 517, 1162, 807, 514, 1087, 918, 160, 756, 1338, 253, 343, 444, 389, 434, 883, 1198, 1277, 886, 266, 120, 274, 335, 947, 33, 446, 1149, 1343, 67, 688, 298, 1192, 124, 1021, 987, 37, 64, 373, 480, 737, 769, 1342, 174, 1252, 486, 490, 153, 369, 859, 530, 805, 684, 183, 1319, 220, 1306, 100, 874, 817, 1328, 361, 964, 512, 39, 933, 1034, 830, 1038, 364, 640, 299, 953, 539, 1074, 130, 18, 1263, 1104, 241, 1156, 606, 1323, 212, 105, 708, 267, 415, 416, 276, 20, 1025, 165, 778, 109, 854, 204, 934, 974, 214, 114, 495, 986, 845, 310, 43, 764, 11, 93, 305, 94, 751, 1142, 792, 1194, 92, 73, 245, 285, 587, 1305, 1008, 84, 148, 423, 772, 168, 945, 488, 187, 492, 903, 890, 1117], [1057, 900, 115, 1106, 946, 1122, 365, 352, 470, 861, 858, 1205, 427, 332, 766, 904, 374, 264, 1048, 303, 931, 471, 755, 576, 940, 30, 65, 382, 123, 795, 302, 1069, 741, 44, 954, 22, 588, 368, 87, 320, 10, 85, 1246, 950, 1052, 340, 207, 1097, 281, 1270, 1220, 743, 1268, 430, 4, 409, 1225, 695, 221, 638, 1204, 466, 1113, 254, 1259, 358, 1235, 569, 962, 1346, 774, 932, 600, 225, 633, 1039, 223, 378, 47, 224, 507, 313, 391, 125, 1255, 650, 1206, 194, 565, 1015, 593, 616, 906, 339, 258, 315, 623, 50, 396, 1300, 163, 1139, 924, 1159, 999, 1215, 847, 1184, 1296, 1248, 831, 564, 582, 521, 585, 735, 555, 740, 930, 237, 544, 355, 278, 1049, 292, 888, 458, 230, 955, 193, 1339, 1185, 459, 1189, 152], [1136, 644, 825, 483, 338, 1179, 156, 967, 118, 398, 801, 1320, 537, 710, 1302, 1084, 78, 122, 648, 841, 714, 790, 273, 121, 347, 180, 21, 912, 279, 0, 894, 386, 568, 747, 1169, 915, 342, 397, 1293, 104, 360, 636, 1111, 479, 665, 89, 910, 201, 630, 1, 1128, 1168, 1064, 798, 99, 1130, 454, 978, 1298, 463, 1282, 188, 429, 1325, 1294, 243, 1036, 814, 157, 487, 356, 295, 511, 1088, 1349, 247, 1284, 489, 599, 129, 255, 818, 922, 881, 1266, 1152, 146, 727, 1265, 921, 509, 145, 1278, 898, 164, 873, 1251, 59, 1209, 618, 134, 823, 867, 716, 523, 473, 1051, 1180, 15, 16, 1229, 1135, 1299, 29, 865, 162, 357, 928, 177, 595, 189, 1027, 936, 996, 317, 346, 261, 401, 1304, 1086, 1100, 1172, 455, 228, 720], [762, 312, 763, 612, 1297, 1026, 916, 542, 173, 809, 1061, 184, 443, 190, 1002, 991, 1078, 460, 632, 884, 857, 760, 9, 1212, 35, 574, 34, 965, 297, 887, 1123, 909, 948, 863, 1107, 1011, 1275, 1030, 742, 86, 321, 249, 103, 1013, 322, 552, 836, 746, 1066, 850, 824, 1290, 1336, 1182, 908, 546, 384, 925, 513, 960, 538, 705, 406, 739, 97, 491, 780, 719, 128, 1059, 226, 166, 351, 131, 1024, 1208, 768, 1216, 259, 2, 126, 240, 679, 108, 377, 659, 19, 959, 110, 988, 1004, 453, 1271, 837, 49, 810, 380, 813, 669, 1312, 943, 842, 646, 1186, 371, 970, 1211, 481, 70, 547, 553, 583, 150, 417, 787, 663, 1291, 210, 554, 738, 1303, 82, 452, 1102, 167, 1101, 435, 229, 939, 844, 307, 424, 1158, 1223, 1174], [142, 1279, 376, 712, 1253, 354, 879, 773, 709, 722, 138, 1309, 428, 475, 484, 425, 885, 329, 1075, 433, 981, 619, 1334, 252, 819, 1090, 1351, 603, 1127, 1042, 1054, 786, 979, 871, 689, 971, 23, 482, 1096, 878, 557, 775, 26, 500, 718, 570, 414, 200, 413, 749, 653, 171, 411, 222, 451, 896, 1318, 330, 782, 750, 1098, 649, 973, 366, 205, 405, 1047, 821, 17, 891, 265, 287, 692, 907, 1292, 61, 1023, 1153, 1314, 147, 1165, 300, 694, 510, 681, 447, 723, 656, 901, 316, 977, 892, 111, 1040, 465, 827, 550, 333, 526, 56, 549, 1188, 1322, 1129, 1114, 1173, 1112, 524, 1289, 752, 403, 246, 848, 624, 534, 674, 72, 467, 390, 596, 334, 198, 238, 672, 209, 236, 1217, 420, 359, 235, 1190, 1333, 629, 1007, 676, 301], [291, 562, 697, 777, 927, 952, 1105, 1137, 1005, 141, 860, 642, 995, 1138, 136, 1313, 944, 137, 362, 1029, 206, 308, 1003, 1199, 683, 1020, 556, 46, 1331, 203, 14, 1115, 270, 832, 776, 757, 1043, 1295, 40, 1344, 383, 363, 820, 271, 323, 608, 1170, 1191, 135, 919, 643, 658, 1055, 985, 410, 621, 1056, 957, 541, 244, 982, 96, 532, 725, 250, 673, 1327, 503, 531, 680, 1337, 615, 1176, 877, 449, 1073, 58, 155, 75, 856, 1151, 862, 548, 1028, 1256, 788, 872, 651, 783, 127, 1269, 597, 899, 77, 53, 1072, 828, 441, 381, 1041, 1103, 678, 559, 699, 251, 625, 527, 1214, 202, 296, 637, 567, 535, 499, 1330, 172, 468, 402, 1171, 853, 581, 1154, 418, 1286, 1261, 748, 711, 52, 231, 1317, 1244, 450, 1164, 868, 791], [516, 1161, 1202, 1177, 611, 717, 1032, 140, 186, 283, 761, 1332, 781, 348, 983, 117, 1083, 1012, 1019, 1264, 1311, 935, 1227, 758, 698, 1067, 1037, 1089, 975, 280, 703, 1124, 984, 496, 1109, 1250, 1221, 437, 293, 1234, 1329, 27, 1065, 989, 262, 1077, 961, 370, 88, 895, 571, 1307, 191, 1110, 1247, 1000, 436, 1267, 639, 1260, 533, 1118, 1121, 759, 1046, 843, 949, 5, 816, 1058, 1274, 66, 263, 584, 647, 304, 269, 826, 506, 494, 242, 42, 462, 239, 208, 685, 282, 592, 504, 880, 529, 1068, 1183, 536, 869, 493, 622, 48, 176, 677, 566, 181, 560, 573, 929, 687, 1321, 839, 855, 765, 68, 728, 1143, 833, 151, 980, 664, 3, 80, 1200, 998, 811, 272, 83, 1071, 69, 387, 62, 422, 421, 812, 767, 1140, 227, 456], [707, 551, 169, 1181, 1167, 6, 515, 375, 63, 1226, 260, 1016, 139, 645, 1231, 745, 71, 614, 277, 1092, 770, 318, 327, 1249, 849, 1082, 613, 840, 326, 442, 1288, 469, 602, 1126, 1053, 36, 1119, 1239, 706, 1132, 439, 306, 667, 822, 732, 893, 715, 609, 1272, 1081, 1014, 219, 218, 502, 353, 1070, 197, 257, 838, 572, 485, 911, 1287, 412, 1197, 1315, 1280, 367, 311, 598, 408, 829, 1001, 407, 729, 1335, 1010, 686, 284, 1345, 328, 724, 394, 45, 815, 846, 309, 290, 286, 926, 704, 693, 1257, 385, 696, 213, 324, 993, 726, 132, 392, 733, 800, 528, 852, 700, 38, 1145, 501, 1044, 24, 525, 1326, 192, 1091, 578, 594, 55, 31, 938, 1233, 1141, 675, 657, 1262, 196, 942, 149, 232, 1241, 419, 233, 580, 802, 635]]]", "target_feature": "pXC50", "tags": [], "collections": [], "suggest": { "input": [ "Supervised Regression", "QSAR-DATASET-FOR-DRUG-TARGET-CHEMBL3976", "Custom 10-fold Crossvalidation", "[[[563, 620, 350, 143, 1237, 870, 1201, 1273, 474, 119, 917, 641, 1283, 966, 116, 461, 1157, 519, 1193, 1006, 876, 432, 248, 604, 314, 325, 1310, 12, 144, 211, 1213, 472, 217, 497, 1095, 992, 1148, 54, 1150, 660, 543, 1018, 1147, 990, 631, 627, 90, 994, 1133, 1060, 1125, 797, 268, 628, 102, 1134, 730, 806, 1348, 1219, 652, 661, 256, 344, 1187, 1222, 662, 794, 882, 682, 438, 41, 1285, 1045, 477, 182, 1033, 1347, 875, 920, 179, 731, 670, 655, 106, 508, 1175, 803, 1207, 478, 1166, 331, 349, 1108, 951, 112, 133, 175, 7, 113, 1218, 1316, 1131, 288, 395, 522, 897, 968, 1203, 976, 28, 1196, 671, 905, 914, 91, 81, 744, 902, 590, 540, 941, 76, 586, 159, 1085, 379, 577, 1050, 448, 779, 185, 1017, 51, 393], [345, 337, 476, 1230, 610, 178, 1163, 784, 498, 1063, 754, 518, 793, 591, 1062, 426, 161, 520, 963, 399, 958, 336, 1276, 431, 575, 1195, 1031, 972, 634, 1009, 1245, 1301, 505, 1116, 1099, 866, 13, 558, 1076, 851, 60, 654, 1093, 1281, 1258, 666, 864, 1238, 1243, 1254, 170, 101, 1308, 1178, 1340, 195, 32, 1224, 457, 95, 605, 74, 1035, 889, 158, 98, 799, 956, 215, 341, 834, 713, 1022, 601, 319, 804, 607, 275, 464, 808, 107, 1160, 691, 789, 721, 997, 734, 1341, 57, 626, 1240, 617, 372, 1236, 440, 1324, 1350, 216, 969, 690, 294, 702, 1144, 701, 8, 753, 736, 937, 1210, 1242, 199, 561, 579, 25, 913, 79, 289, 668, 404, 445, 1079, 545, 1155, 589, 1146, 1094, 1080, 1228, 771, 154, 835, 400, 1232, 234, 796, 923], [1120, 785, 388, 517, 1162, 807, 514, 1087, 918, 160, 756, 1338, 253, 343, 444, 389, 434, 883, 1198, 1277, 886, 266, 120, 274, 335, 947, 33, 446, 1149, 1343, 67, 688, 298, 1192, 124, 1021, 987, 37, 64, 373, 480, 737, 769, 1342, 174, 1252, 486, 490, 153, 369, 859, 530, 805, 684, 183, 1319, 220, 1306, 100, 874, 817, 1328, 361, 964, 512, 39, 933, 1034, 830, 1038, 364, 640, 299, 953, 539, 1074, 130, 18, 1263, 1104, 241, 1156, 606, 1323, 212, 105, 708, 267, 415, 416, 276, 20, 1025, 165, 778, 109, 854, 204, 934, 974, 214, 114, 495, 986, 845, 310, 43, 764, 11, 93, 305, 94, 751, 1142, 792, 1194, 92, 73, 245, 285, 587, 1305, 1008, 84, 148, 423, 772, 168, 945, 488, 187, 492, 903, 890, 1117], [1057, 900, 115, 1106, 946, 1122, 365, 352, 470, 861, 858, 1205, 427, 332, 766, 904, 374, 264, 1048, 303, 931, 471, 755, 576, 940, 30, 65, 382, 123, 795, 302, 1069, 741, 44, 954, 22, 588, 368, 87, 320, 10, 85, 1246, 950, 1052, 340, 207, 1097, 281, 1270, 1220, 743, 1268, 430, 4, 409, 1225, 695, 221, 638, 1204, 466, 1113, 254, 1259, 358, 1235, 569, 962, 1346, 774, 932, 600, 225, 633, 1039, 223, 378, 47, 224, 507, 313, 391, 125, 1255, 650, 1206, 194, 565, 1015, 593, 616, 906, 339, 258, 315, 623, 50, 396, 1300, 163, 1139, 924, 1159, 999, 1215, 847, 1184, 1296, 1248, 831, 564, 582, 521, 585, 735, 555, 740, 930, 237, 544, 355, 278, 1049, 292, 888, 458, 230, 955, 193, 1339, 1185, 459, 1189, 152], [1136, 644, 825, 483, 338, 1179, 156, 967, 118, 398, 801, 1320, 537, 710, 1302, 1084, 78, 122, 648, 841, 714, 790, 273, 121, 347, 180, 21, 912, 279, 0, 894, 386, 568, 747, 1169, 915, 342, 397, 1293, 104, 360, 636, 1111, 479, 665, 89, 910, 201, 630, 1, 1128, 1168, 1064, 798, 99, 1130, 454, 978, 1298, 463, 1282, 188, 429, 1325, 1294, 243, 1036, 814, 157, 487, 356, 295, 511, 1088, 1349, 247, 1284, 489, 599, 129, 255, 818, 922, 881, 1266, 1152, 146, 727, 1265, 921, 509, 145, 1278, 898, 164, 873, 1251, 59, 1209, 618, 134, 823, 867, 716, 523, 473, 1051, 1180, 15, 16, 1229, 1135, 1299, 29, 865, 162, 357, 928, 177, 595, 189, 1027, 936, 996, 317, 346, 261, 401, 1304, 1086, 1100, 1172, 455, 228, 720], [762, 312, 763, 612, 1297, 1026, 916, 542, 173, 809, 1061, 184, 443, 190, 1002, 991, 1078, 460, 632, 884, 857, 760, 9, 1212, 35, 574, 34, 965, 297, 887, 1123, 909, 948, 863, 1107, 1011, 1275, 1030, 742, 86, 321, 249, 103, 1013, 322, 552, 836, 746, 1066, 850, 824, 1290, 1336, 1182, 908, 546, 384, 925, 513, 960, 538, 705, 406, 739, 97, 491, 780, 719, 128, 1059, 226, 166, 351, 131, 1024, 1208, 768, 1216, 259, 2, 126, 240, 679, 108, 377, 659, 19, 959, 110, 988, 1004, 453, 1271, 837, 49, 810, 380, 813, 669, 1312, 943, 842, 646, 1186, 371, 970, 1211, 481, 70, 547, 553, 583, 150, 417, 787, 663, 1291, 210, 554, 738, 1303, 82, 452, 1102, 167, 1101, 435, 229, 939, 844, 307, 424, 1158, 1223, 1174], [142, 1279, 376, 712, 1253, 354, 879, 773, 709, 722, 138, 1309, 428, 475, 484, 425, 885, 329, 1075, 433, 981, 619, 1334, 252, 819, 1090, 1351, 603, 1127, 1042, 1054, 786, 979, 871, 689, 971, 23, 482, 1096, 878, 557, 775, 26, 500, 718, 570, 414, 200, 413, 749, 653, 171, 411, 222, 451, 896, 1318, 330, 782, 750, 1098, 649, 973, 366, 205, 405, 1047, 821, 17, 891, 265, 287, 692, 907, 1292, 61, 1023, 1153, 1314, 147, 1165, 300, 694, 510, 681, 447, 723, 656, 901, 316, 977, 892, 111, 1040, 465, 827, 550, 333, 526, 56, 549, 1188, 1322, 1129, 1114, 1173, 1112, 524, 1289, 752, 403, 246, 848, 624, 534, 674, 72, 467, 390, 596, 334, 198, 238, 672, 209, 236, 1217, 420, 359, 235, 1190, 1333, 629, 1007, 676, 301], [291, 562, 697, 777, 927, 952, 1105, 1137, 1005, 141, 860, 642, 995, 1138, 136, 1313, 944, 137, 362, 1029, 206, 308, 1003, 1199, 683, 1020, 556, 46, 1331, 203, 14, 1115, 270, 832, 776, 757, 1043, 1295, 40, 1344, 383, 363, 820, 271, 323, 608, 1170, 1191, 135, 919, 643, 658, 1055, 985, 410, 621, 1056, 957, 541, 244, 982, 96, 532, 725, 250, 673, 1327, 503, 531, 680, 1337, 615, 1176, 877, 449, 1073, 58, 155, 75, 856, 1151, 862, 548, 1028, 1256, 788, 872, 651, 783, 127, 1269, 597, 899, 77, 53, 1072, 828, 441, 381, 1041, 1103, 678, 559, 699, 251, 625, 527, 1214, 202, 296, 637, 567, 535, 499, 1330, 172, 468, 402, 1171, 853, 581, 1154, 418, 1286, 1261, 748, 711, 52, 231, 1317, 1244, 450, 1164, 868, 791], [516, 1161, 1202, 1177, 611, 717, 1032, 140, 186, 283, 761, 1332, 781, 348, 983, 117, 1083, 1012, 1019, 1264, 1311, 935, 1227, 758, 698, 1067, 1037, 1089, 975, 280, 703, 1124, 984, 496, 1109, 1250, 1221, 437, 293, 1234, 1329, 27, 1065, 989, 262, 1077, 961, 370, 88, 895, 571, 1307, 191, 1110, 1247, 1000, 436, 1267, 639, 1260, 533, 1118, 1121, 759, 1046, 843, 949, 5, 816, 1058, 1274, 66, 263, 584, 647, 304, 269, 826, 506, 494, 242, 42, 462, 239, 208, 685, 282, 592, 504, 880, 529, 1068, 1183, 536, 869, 493, 622, 48, 176, 677, 566, 181, 560, 573, 929, 687, 1321, 839, 855, 765, 68, 728, 1143, 833, 151, 980, 664, 3, 80, 1200, 998, 811, 272, 83, 1071, 69, 387, 62, 422, 421, 812, 767, 1140, 227, 456], [707, 551, 169, 1181, 1167, 6, 515, 375, 63, 1226, 260, 1016, 139, 645, 1231, 745, 71, 614, 277, 1092, 770, 318, 327, 1249, 849, 1082, 613, 840, 326, 442, 1288, 469, 602, 1126, 1053, 36, 1119, 1239, 706, 1132, 439, 306, 667, 822, 732, 893, 715, 609, 1272, 1081, 1014, 219, 218, 502, 353, 1070, 197, 257, 838, 572, 485, 911, 1287, 412, 1197, 1315, 1280, 367, 311, 598, 408, 829, 1001, 407, 729, 1335, 1010, 686, 284, 1345, 328, 724, 394, 45, 815, 846, 309, 290, 286, 926, 704, 693, 1257, 385, 696, 213, 324, 993, 726, 132, 392, 733, 800, 528, 852, 700, 38, 1145, 501, 1044, 24, 525, 1326, 192, 1091, 578, 594, 55, 31, 938, 1233, 1141, 675, 657, 1262, 196, 942, 149, 232, 1241, 419, 233, 580, 802, 635]]]", "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 }