Numerical Score Values List
View to retrieve information about numerical computed molecule scores
(api/numerical-scores).
GET /api/numerical-scores/?format=api&offset=5000
{ "count": 14799, "next": "https://fragalysis.diamond.ac.uk/api/numerical-scores/?format=api&limit=5000&offset=10000", "previous": "https://fragalysis.diamond.ac.uk/api/numerical-scores/?format=api&limit=5000", "results": [ { "id": 25221, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 25.836637, "compound": 8233 }, { "id": 18203, "score": { "id": 569, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 37 }, "value": 4.771144, "compound": 6560 }, { "id": 12258, "score": { "id": 280, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 16 }, "value": 4.29716, "compound": 5535 }, { "id": 14641, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220456.0, "compound": 5931 }, { "id": 17259, "score": { "id": 551, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 35 }, "value": 0.666536, "compound": 6420 }, { "id": 4604, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 7 }, "value": 51940.0, "compound": 3969 }, { "id": 24367, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 30.99528, "compound": 7916 }, { "id": 12874, "score": { "id": 299, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 17 }, "value": 51151.0, "compound": 3879 }, { "id": 6107, "score": { "id": 229, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 13 }, "value": 1.837259, "compound": 4297 }, { "id": 25884, "score": { "id": 733, "name": "dockingScore", "description": "computed docking score", "computed_set": 55 }, "value": -0.27, "compound": 8536 }, { "id": 17917, "score": { "id": 555, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 36 }, "value": 350563.0, "compound": 6519 }, { "id": 15380, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 8582.0, "compound": 6042 }, { "id": 4562, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 7 }, "value": 51898.0, "compound": 3957 }, { "id": 17065, "score": { "id": 552, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 35 }, "value": 345.0, "compound": 6389 }, { "id": 23829, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 1.844481, "compound": 7218 }, { "id": 23628, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 49.567175, "compound": 7593 }, { "id": 24703, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 16.367217, "compound": 8043 }, { "id": 17111, "score": { "id": 553, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 35 }, "value": 488.0, "compound": 6397 }, { "id": 18800, "score": { "id": 652, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 43 }, "value": 302059.0, "compound": 6240 }, { "id": 13691, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220463.0, "compound": 5758 }, { "id": 13286, "score": { "id": 335, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 18 }, "value": 217082.0, "compound": 5534 }, { "id": 23376, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -27.797953, "compound": 7479 }, { "id": 17503, "score": { "id": 547, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 35 }, "value": 4.966329, "compound": 6457 }, { "id": 19203, "score": { "id": 662, "name": "MoCASSIn MergeScore", "description": "MoCASSIn MergeScore", "computed_set": 43 }, "value": 0.39813, "compound": 6207 }, { "id": 5156, "score": { "id": 186, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 9 }, "value": 80972.0, "compound": 4081 }, { "id": 18081, "score": { "id": 575, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 37 }, "value": 6607.0, "compound": 6540 }, { "id": 5958, "score": { "id": 225, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 13 }, "value": 217042.0, "compound": 4260 }, { "id": 14533, "score": { "id": 356, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 19 }, "value": 0.426139, "compound": 5912 }, { "id": 13975, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 50103.0, "compound": 5808 }, { "id": 23531, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 18.275139, "compound": 7181 }, { "id": 11316, "score": { "id": 288, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 16 }, "value": 47422.0, "compound": 5350 }, { "id": 11039, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.609118, "compound": 5299 }, { "id": 10882, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 217079.0, "compound": 5269 }, { "id": 17631, "score": { "id": 564, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 36 }, "value": 2134.0, "compound": 6475 }, { "id": 12820, "score": { "id": 290, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 17 }, "value": 220465.0, "compound": 3818 }, { "id": 4334, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 7 }, "value": 51646.0, "compound": 3902 }, { "id": 8714, "score": { "id": 269, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 14 }, "value": 68670.0, "compound": 4276 }, { "id": 14602, "score": { "id": 351, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 19 }, "value": 2.498952, "compound": 5924 }, { "id": 23397, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 6.84188, "compound": 7489 }, { "id": 6206, "score": { "id": 225, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 13 }, "value": 217037.0, "compound": 4314 }, { "id": 24195, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 2.947431, "compound": 7837 }, { "id": 11814, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.795125, "compound": 5448 }, { "id": 18714, "score": { "id": 631, "name": "distance_score", "description": "distance_score", "computed_set": 41 }, "value": 0.97416, "compound": 6040 }, { "id": 14109, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 183619.0, "compound": 5831 }, { "id": 25507, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 3.120449, "compound": 8347 }, { "id": 8097, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.585647, "compound": 3610 }, { "id": 23363, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 58.487914, "compound": 7472 }, { "id": 11055, "score": { "id": 287, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 16 }, "value": 97521.0, "compound": 5302 }, { "id": 11652, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 217076.0, "compound": 5417 }, { "id": 14964, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 206674.0, "compound": 5983 }, { "id": 3915, "score": { "id": 163, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 7 }, "value": 2126.0, "compound": 3661 }, { "id": 8486, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.387562, "compound": 4189 }, { "id": 12452, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 217071.0, "compound": 5492 }, { "id": 24157, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 140.536302, "compound": 7819 }, { "id": 5992, "score": { "id": 234, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 13 }, "value": 67908.0, "compound": 4268 }, { "id": 15039, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 208775.0, "compound": 5993 }, { "id": 18687, "score": { "id": 624, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 41 }, "value": 6.67232, "compound": 5848 }, { "id": 10603, "score": { "id": 280, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 16 }, "value": 11.511334, "compound": 5214 }, { "id": 11321, "score": { "id": 288, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 16 }, "value": 47264.0, "compound": 5351 }, { "id": 16999, "score": { "id": 551, "name": "score_inspiration", "description": "score_inspiration", "computed_set": 35 }, "value": 0.677863, "compound": 6378 }, { "id": 14395, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 33958.0, "compound": 5887 }, { "id": 13323, "score": { "id": 356, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 19 }, "value": 0.705081, "compound": 5690 }, { "id": 23636, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -40.212415, "compound": 7597 }, { "id": 10943, "score": { "id": 280, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 16 }, "value": 4.405504, "compound": 5281 }, { "id": 11988, "score": { "id": 280, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 16 }, "value": 7.916515, "compound": 5483 }, { "id": 18904, "score": { "id": 652, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 43 }, "value": 302018.0, "compound": 6246 }, { "id": 18709, "score": { "id": 632, "name": "energy_score", "description": "energy_score", "computed_set": 41 }, "value": -20.450256, "compound": 5986 }, { "id": 4808, "score": { "id": 186, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 9 }, "value": 77510.0, "compound": 4009 }, { "id": 15288, "score": { "id": 356, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 19 }, "value": 0.806159, "compound": 5720 }, { "id": 10434, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.755516, "compound": 5180 }, { "id": 17975, "score": { "id": 563, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 36 }, "value": 6291.0, "compound": 6525 }, { "id": 19350, "score": { "id": 667, "name": "distance_score", "description": "distance_score", "computed_set": 43 }, "value": 0.604125, "compound": 6265 }, { "id": 17291, "score": { "id": 553, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 35 }, "value": 182.0, "compound": 6424 }, { "id": 14019, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 179663.0, "compound": 5817 }, { "id": 6030, "score": { "id": 225, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 13 }, "value": 217914.0, "compound": 4278 }, { "id": 10854, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.520147, "compound": 5263 }, { "id": 8241, "score": { "id": 268, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 14 }, "value": 0.557354, "compound": 3751 }, { "id": 12166, "score": { "id": 288, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 16 }, "value": 29117.0, "compound": 5518 }, { "id": 23026, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 71.309563, "compound": 7304 }, { "id": 11569, "score": { "id": 285, "name": "Multi-SuCOS", "description": "Multi-SuCOS", "computed_set": 16 }, "value": 0.647805, "compound": 5400 }, { "id": 23898, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -22.270929, "compound": 7705 }, { "id": 5899, "score": { "id": 229, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 13 }, "value": 4.251361, "compound": 4245 }, { "id": 13971, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220464.0, "compound": 5808 }, { "id": 18615, "score": { "id": 624, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 41 }, "value": 3.618871, "compound": 5515 }, { "id": 10452, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 217072.0, "compound": 5184 }, { "id": 5006, "score": { "id": 177, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 9 }, "value": 217914.0, "compound": 4050 }, { "id": 4610, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 7 }, "value": 51946.0, "compound": 3971 }, { "id": 19001, "score": { "id": 656, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 43 }, "value": 4.131647, "compound": 6197 }, { "id": 13959, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 178866.0, "compound": 5805 }, { "id": 13630, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 34583.0, "compound": 5746 }, { "id": 17210, "score": { "id": 552, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 35 }, "value": 521.0, "compound": 6412 }, { "id": 23849, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 2.035669, "compound": 7684 }, { "id": 14501, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220462.0, "compound": 5906 }, { "id": 10845, "score": { "id": 287, "name": 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"description": "HIPPO Compound ID", "computed_set": 16 }, "value": 37624.0, "compound": 5480 }, { "id": 8842, "score": { "id": 269, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 14 }, "value": 72746.0, "compound": 4304 }, { "id": 24687, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 0.788664, "compound": 8037 }, { "id": 9006, "score": { "id": 269, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 14 }, "value": 77590.0, "compound": 4019 }, { "id": 14374, "score": { "id": 358, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 19 }, "value": 191540.0, "compound": 5883 }, { "id": 24290, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": -1.325763, "compound": 7885 }, { "id": 18482, "score": { "id": 620, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 41 }, "value": 217037.0, "compound": 4310 }, { "id": 9067, "score": { "id": 270, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 14 }, "value": 19378.0, "compound": 4327 }, { "id": 14560, "score": { "id": 359, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 19 }, "value": 53282.0, "compound": 5916 }, { "id": 4132, "score": { "id": 153, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 7 }, "value": 211014.0, "compound": 3853 }, { "id": 23014, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 124.147045, "compound": 7298 }, { "id": 4978, "score": { "id": 177, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 9 }, "value": 217914.0, "compound": 4045 }, { "id": 4436, "score": { "id": 162, "name": "HIPPO Pose ID", "description": "HIPPO Pose ID", "computed_set": 7 }, "value": 51781.0, "compound": 3927 }, { "id": 15346, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220462.0, "compound": 5594 }, { "id": 13896, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220464.0, "compound": 5793 }, { "id": 24135, "score": { "id": 720, "name": "fragmenstein_runtime", "description": "fragmenstein_runtime", "computed_set": 51 }, "value": 39.692263, "compound": 7809 }, { "id": 14546, "score": { "id": 347, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 19 }, "value": 220453.0, "compound": 5542 }, { "id": 12176, "score": { "id": 288, "name": "HIPPO Compound ID", "description": "HIPPO Compound ID", "computed_set": 16 }, "value": 29399.0, "compound": 5520 }, { "id": 24560, "score": { "id": 718, "name": "Energy", "description": "Energy", "computed_set": 51 }, "value": 105.196952, "compound": 7991 }, { "id": 11107, "score": { "id": 276, "name": "SLURM_JOB_ID", "description": "SLURM_JOB_ID", "computed_set": 16 }, "value": 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