Numerical Score Values List
View to retrieve information about numerical computed molecule scores
(api/numerical-scores).
GET /api/numerical-scores/?format=api
{ "count": 14799, "next": "https://fragalysis.diamond.ac.uk/api/numerical-scores/?format=api&limit=5000&offset=5000", "previous": null, "results": [ { "id": 13828, "score": { "id": 356, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 19 }, "value": 0.682631, "compound": 5784 }, { "id": 25408, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 47.771492, "compound": 8307 }, { "id": 3328, "score": { "id": 129, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 6 }, "value": 211010.0, "compound": 3642 }, { "id": 18572, "score": { "id": 620, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 41 }, "value": 217082.0, "compound": 5453 }, { "id": 24588, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -164.666862, "compound": 8003 }, { "id": 24495, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 5.623464, "compound": 7967 }, { "id": 26071, "score": { "id": 733, "name": "dockingScore", "description": "computed docking score", "computed_set": 55 }, "value": -7.24, "compound": 8720 }, { "id": 24629, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 1.468566, "compound": 8018 }, { "id": 18624, "score": { "id": 631, "name": "distance_score", "description": "distance_score", "computed_set": 41 }, "value": 0.896831, "compound": 5523 }, { "id": 17248, "score": { "id": 547, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 35 }, "value": 5.365141, "compound": 6418 }, { "id": 10585, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 94453.0, "compound": 5210 }, { "id": 13671, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220454.0, "compound": 5755 }, { "id": 3714, "score": { "id": 151, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 4 }, "value": 14066.0, "compound": 3749 }, { "id": 14237, "score": { "id": 351, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 19 }, "value": 3.336678, "compound": 5856 }, { "id": 14217, "score": { "id": 351, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 19 }, "value": 2.200037, "compound": 5852 }, { "id": 19402, "score": { "id": 661, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 43 }, "value": 0.53066, "compound": 6267 }, { "id": 25122, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 34.765473, "compound": 8196 }, { "id": 14625, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 8398.0, "compound": 5720 }, { "id": 24501, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 4.812933, "compound": 7970 }, { "id": 13182, "score": { "id": 344, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 18 }, "value": 41842.0, "compound": 3642 }, { "id": 19217, "score": { "id": 656, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 43 }, "value": 5.284322, "compound": 6233 }, { "id": 10994, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.725853, "compound": 5290 }, { "id": 17913, "score": { "id": 558, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 36 }, "value": 1.880447, "compound": 6519 }, { "id": 4536, "score": { "id": 163, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 7 }, "value": 6652.0, "compound": 3951 }, { "id": 18124, "score": { "id": 573, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 37 }, "value": 0.561046, "compound": 6545 }, { "id": 5480, "score": { "id": 222, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 12 }, "value": 77387.0, "compound": 4156 }, { "id": 18061, "score": { "id": 575, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 37 }, "value": 4044.0, "compound": 6537 }, { "id": 24640, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 79.202313, "compound": 8022 }, { "id": 22928, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 52.060057, "compound": 7255 }, { "id": 18647, "score": { "id": 629, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 41 }, "value": 36458.0, "compound": 5621 }, { "id": 8990, "score": { "id": 269, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 14 }, "value": 77553.0, "compound": 4014 }, { "id": 17333, "score": { "id": 547, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 35 }, "value": 3.87934, "compound": 6431 }, { "id": 5058, "score": { "id": 177, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 9 }, "value": 217914.0, "compound": 4060 }, { "id": 18152, "score": { "id": 566, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 37 }, "value": 350568.0, "compound": 6551 }, { "id": 25048, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -177.962336, "compound": 7899 }, { "id": 5448, "score": { "id": 210, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 11 }, "value": 83777.0, "compound": 4150 }, { "id": 10945, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 95628.0, "compound": 5281 }, { "id": 10735, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 94928.0, "compound": 5240 }, { "id": 5966, "score": { "id": 225, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 13 }, "value": 217042.0, "compound": 4262 }, { "id": 17285, "score": { "id": 552, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 35 }, "value": 2711.0, "compound": 6423 }, { "id": 8409, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.523384, "compound": 3773 }, { "id": 24209, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 5.604419, "compound": 7844 }, { "id": 11999, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.610433, "compound": 5485 }, { "id": 5484, "score": { "id": 222, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 12 }, "value": 77437.0, "compound": 4157 }, { "id": 13885, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 45330.0, "compound": 5790 }, { "id": 14426, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220452.0, "compound": 5893 }, { "id": 19227, "score": { "id": 662, "name": "MoCASSIn MergeScore", "description": "MoCASSIn MergeScore", "computed_set": 43 }, "value": 0.327762, "compound": 6234 }, { "id": 26011, "score": { "id": 733, "name": "dockingScore", "description": "computed docking score", "computed_set": 55 }, "value": -7.44, "compound": 8660 }, { "id": 4684, "score": { "id": 153, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 7 }, "value": 211013.0, "compound": 3653 }, { "id": 18799, "score": { "id": 668, "name": "energy_score", "description": "energy_score", "computed_set": 43 }, "value": -15.160854, "compound": 6187 }, { "id": 13909, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 178202.0, "compound": 5795 }, { "id": 6110, "score": { "id": 225, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 13 }, "value": 217046.0, "compound": 4298 }, { "id": 17343, "score": { "id": 547, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 35 }, "value": 3.104985, "compound": 6433 }, { "id": 10652, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 217079.0, "compound": 5224 }, { "id": 5088, "score": { "id": 186, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 9 }, "value": 80000.0, "compound": 4065 }, { "id": 18250, "score": { "id": 574, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 37 }, "value": 6852.0, "compound": 6567 }, { "id": 18084, "score": { "id": 573, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 37 }, "value": 0.630024, "compound": 6541 }, { "id": 10491, "score": { "id": 288, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 16 }, "value": 40128.0, "compound": 5191 }, { "id": 13705, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 59860.0, "compound": 5760 }, { "id": 17119, "score": { "id": 551, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 35 }, "value": 0.884295, "compound": 6398 }, { "id": 14310, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 29623.0, "compound": 5870 }, { "id": 6185, "score": { "id": 235, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 13 }, "value": 21483.0, "compound": 4311 }, { "id": 17117, "score": { "id": 544, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", 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"name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 13 }, "value": 4.316276, "compound": 4214 }, { "id": 13669, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 169826.0, "compound": 5754 }, { "id": 11080, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 98056.0, "compound": 5307 }, { "id": 23732, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 18.082731, "compound": 7638 }, { "id": 3627, "score": { "id": 151, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 4 }, "value": 13086.0, "compound": 3728 }, { "id": 26058, "score": { "id": 733, "name": "dockingScore", "description": "computed docking score", "computed_set": 55 }, "value": -5.97, "compound": 8707 }, { "id": 25258, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -55.806912, "compound": 8249 }, { "id": 5356, "score": { "id": 210, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 11 }, "value": 82370.0, "compound": 4127 }, { "id": 8421, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.472812, "compound": 3961 }, { "id": 5494, "score": { "id": 213, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 12 }, "value": 217912.0, "compound": 4160 }, { "id": 4504, "score": { "id": 153, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 7 }, "value": 211013.0, "compound": 3944 }, { "id": 8502, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.483956, "compound": 4197 }, { "id": 13469, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 163650.0, "compound": 5716 }, { "id": 5843, "score": { "id": 229, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 13 }, "value": 6.408202, "compound": 4233 }, { "id": 8523, "score": { "id": 269, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 14 }, "value": 58135.0, "compound": 4205 }, { "id": 16985, "score": { "id": 552, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 35 }, "value": 210.0, "compound": 6376 }, { "id": 18121, "score": { "id": 575, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 37 }, "value": 2096.0, "compound": 6473 }, { "id": 19173, "score": { "id": 665, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 43 }, "value": 18970.0, "compound": 6228 }, { "id": 17569, "score": { "id": 551, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 35 }, "value": 0.553646, "compound": 6468 }, { "id": 25438, "score": { "id": 718, "name": "Energy", "description": 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"name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 41 }, "value": 120066.0, "compound": 5453 }, { "id": 24382, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -75.687508, "compound": 7920 }, { "id": 24039, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 10.022336, "compound": 7769 }, { "id": 17987, "score": { "id": 555, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 36 }, "value": 350563.0, "compound": 6527 }, { "id": 12168, "score": { "id": 280, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 16 }, "value": 2.510043, "compound": 5519 }, { "id": 10475, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 93198.0, "compound": 5188 }, { "id": 4493, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", 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