Table 2 Toxicity dataset, mean accuracy of 10-Fold CV with 100 replications for feature sets with cardinality ranging from 2 to 20.
From: Structure-based design and classifications of small molecules regulating the circadian rhythm period
Features | 10 Fold CV—accuracy (%) | |||
|---|---|---|---|---|
DTC | RFC | ETC | XGBC | |
2 | 60.22 | 68.63 | 70.32 | 65.06 |
3 | 59.20 | 68.68 | 70.40 | 67.64 |
4 | 60.39 | 71.97 | 68.82 | 68.10 |
5 | 71.93 | 69.47 | 69.88 | 68.88 |
6 | 69.87 | 71.18 | 67.99 | 68.67 |
7 | 71.73 | 72.70 | 68.12 | 68.20 |
8 | 72.81 | 72.78 | 69.16 | 67.37 |
9 | 75.87 | 72.99 | 68.16 | 68.32 |
10 | 75.65 | 72.68 | 70.21 | 67.92 |
11 | 76.75 | 71.71 | 68.60 | 70.18 |
12 | 75.33 | 71.43 | 68.83 | 70.16 |
13 | 76.46 | 72.36 | 68.57 | 68.87 |
14 | 78.49 | 72.54 | 68.23 | 68.63 |
15 | 77.22 | 70.76 | 69.67 | 69.08 |
16 | 77.21 | 72.41 | 68.73 | 71.16 |
17 | 75.83 | 72.81 | 68.77 | 71.17 |
18 | 78.75 | 72.37 | 69.49 | 71.05 |
19 | 78.77 | 70.03 | 70.32 | 70.11 |
20 | 78.02 | 70.73 | 71.36 | 70.73 |
