From: Probabilistic metabolite annotation using retention time prediction and meta-learned projections
CM | Metric\No. training points | 10 | 20 | 25 | 30 | 40 | 50 |
---|---|---|---|---|---|---|---|
FEM long | Scaled interval score | \(2.27\pm 1.03\) | \(1.70\pm 0.19\) | \(1.68\pm 0.21\) | \(1.60\pm 0.15\) | \(1.55\pm 0.09\) | \(1.51\pm 0.06\) |
Median relative error (%) | \(21.64\pm 5.32\) | \(17.62\pm 2.19\) | \(17.77\pm 2.86\) | \(16.14\pm 1.40\) | \(16.76\pm 1.90\) | \(16.98\pm 1.36\) | |
MAE (s) | \(301.28\pm 31.53\) | \(283.98\pm 17.02\) | \(283.02\pm 20.50\) | \(281.01\pm 23.22\) | \(269.25\pm 21.48\) | \(262.52\pm 9.47\) | |
MEDAE (s) | \(237.42\pm 27.99\) | \(223.17\pm 11.71\) | \(219.34\pm 17.12\) | \(218.66\pm 21.25\) | \(210.91\pm 18.16\) | \(202.64\pm 9.31\) | |
Fem orb. | Scaled interval score | \(1.90\pm 0.21\) | \(1.80\pm 0.16\) | \(1.83\pm 0.10\) | \(1.79\pm 0.13\) | \(1.76\pm 0.06\) | \(1.73\pm 0.06\) |
Median relative error (%) | \(14.04\pm 1.32\) | \(12.73\pm 2.12\) | \(12.18\pm 0.86\) | \(11.67\pm 1.27\) | \(11.13\pm 0.88\) | \(11.76\pm 1.35\) | |
MAE (s) | \(129.99\pm 10.55\) | \(118.65\pm 10.36\) | \(114.31\pm 7.85\) | \(114.45\pm 8.02\) | \(107.89\pm 6.63\) | \(113.77\pm 10.90\) | |
MEDAE (s) | \(90.68\pm 12.43\) | \(74.3\pm 11.86\) | \(74.01\pm 12.39\) | \(70.64\pm 6.62\) | \(64.80\pm 9.54\) | \(66.2\pm 8.99\) | |
LIFE old | Scaled interval score | \(1.70\pm 0.15\) | \(1.53\pm 0.08\) | \(1.56\pm 0.08\) | \(1.55\pm 0.08\) | \(1.48\pm 0.05\) | \(1.47\pm 0.03\) |
Median relative error (%) | \(11.46\pm 1.93\) | \(9.97\pm 0.82\) | \(10.18\pm 1.00\) | \(9.88\pm 0.66\) | \(9.22\pm 0.61\) | \(9.26\pm 0.53\) | |
MAE (s) | \(17.74\pm 2.31\) | \(15.50\pm 0.91\) | \(15.69\pm 1.74\) | \(15.07\pm 1.26\) | \(14.32\pm 1.19\) | \(14.01\pm 1.35\) | |
MEDAE (s) | \(14.18\pm 2.65\) | \(12.01\pm 1.66\) | \(12.70\pm 2.15\) | \(11.31\pm 1.53\) | \(10.71\pm 1.57\) | \(9.93\pm 1.43\) | |
RIKEN | Scaled interval score | \(1.61\pm 0.05\) | \(1.56\pm 0.07\) | \(1.55\pm 0.07\) | \(1.52\pm 0.03\) | \(1.52\pm 0.02\) | \(1.50\pm 0.02\) |
Median relative error (%) | \(6.64\pm 0.75\) | \(6.13\pm 0.40\) | \(5.85\pm 0.31\) | \(5.81\pm 0.28\) | \(5.79\pm 0.31\) | \(5.81\pm 0.33\) | |
MAE (s) | \(7.16\pm 0.50\) | \(6.72\pm 0.29\) | \(6.50\pm 0.34\) | \(6.69\pm 0.26\) | \(6.55\pm 0.32\) | \(6.62\pm 0.52\) | |
MEDAE (s) | \(5.47\pm 0.65\) | \(4.91\pm 0.33\) | \(4.64\pm 0.33\) | \(4.80\pm 0.29\) | \(4.71\pm 0.37\) | \(4.86\pm 0.54\) |