From: MolData, a molecular benchmark for disease and target based machine learning
Benchmark | Validation Set | Test Set | ||||||
---|---|---|---|---|---|---|---|---|
Accuracy (%) | Recall (%) | Precision (%) | ROC AUC | Accuracy (%) | Recall (%) | Precision (%) | ROC AUC | |
All Tasks | 64.7 | 76 | 3.93 | 0.7803 | 63.96 | 75.69 | 3.98 | 0.774 |
Cancer | 73.61 | 68.76 | 3.68 | 0.7809 | 72.96 | 68.44 | 3.76 | 0.7765 |
Nervous System | 73.34 | 65.1 | 2.39 | 0.7573 | 73.01 | 64.92 | 2.49 | 0.7556 |
Immune System | 79.7 | 61.34 | 3.41 | 0.777 | 79.49 | 61.01 | 3.5 | 0.7739 |
Cardiovascular | 80.06 | 56.84 | 2.98 | 0.7498 | 80.06 | 56.39 | 3.13 | 0.7457 |
Toxicity | 86.9 | 33.41 | 24.46 | 0.7445 | 86.51 | 34.27 | 27.54 | 0.7309 |
Obesity | 86.01 | 54.1 | 5.42 | 0.7925 | 85.37 | 51.5 | 5.51 | 0.7704 |
Virus | 77.73 | 62.08 | 2.62 | 0.7625 | 77.9 | 61.91 | 2.84 | 0.7643 |
Diabetes | 86.69 | 51.27 | 5.8 | 0.7845 | 85.88 | 51.33 | 5.99 | 0.7795 |
Metabolic Disorders | 83.14 | 53.04 | 6.89 | 0.7619 | 82.71 | 54.85 | 7.06 | 0.7619 |
Bacteria | 83.1 | 60.82 | 4.63 | 0.7916 | 82.26 | 64.49 | 4.69 | 0.8089 |
Parasite | 91.51 | 46.65 | 11.31 | 0.8292 | 91.37 | 44.63 | 11.17 | 0.8243 |
Epigenetics-Genetics | 88.46 | 45.27 | 6.36 | 0.7804 | 88.32 | 40.98 | 5.65 | 0.7251 |
Pulmonary | 76.82 | 56.7 | 2.34 | 0.7293 | 76.06 | 54.79 | 2.5 | 0.7168 |
Infection | 92.17 | 31.58 | 12.53 | 0.801 | 92.01 | 29.87 | 11.41 | 0.7871 |
Aging | 94.83 | 23.59 | 1.86 | 0.7205 | 94.28 | 29.36 | 2.38 | 0.7402 |
Fungal | 92.36 | 35.22 | 3.5 | 0.75 | 92.77 | 33.93 | 3.61 | 0.7335 |