Table 8.
Entropy list order | Training CV Accuracy(%) | Test Accuracy(%) | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
Poly | Gausssian | Poly | Gausssian | Poly | Gausssian | |||||||
γ = 0.01 | γ =1 | γ = 10 | γ = 0.01 | γ = 1 | γ = 10 | γ = 0.01 | γ = 1 | γ = 10 | ||||
Baseline | – | – | – | – | 86.51 | 75.34 | 65.21 | 66.76 | 85.58 | 74.35 | 65.79 | 65.61 |
F01[N-O] | 1 | 2 | 1 | 1 | 85.15 | 76.12 | 66.16 | 66.44 | 85.44 | 76.14 | 65.65 | 66.15 |
N-076 | 4 | 5 | 4 | 4 | 87.50 | 77.05 | 66.98 | 67.33 | 86.12 | 76.89 | 66.34 | 66.79 |
nArNO2 | 6 | 7 | 5 | 5 | 86.82 | 75.14 | 66.78 | 66.58 | 85.27 | 84.35 | 76.34 | 64.96 |
nCconj | 16 | 14 | 10 | 12 | 86.61 | 77.12 | 67.03 | 66.79 | 83.31 | 76.72 | 63.77 | 65.74 |
C-034 | 17 | 16 | 11 | 17 | 85.98 | 76.38 | 66.44 | 65.89 | 85.69 | 75.28 | 64.59 | 65.88 |
B01[N-O] | 20 | 19 | 19 | 18 | 87.21 | 76.38 | 66.38 | 66.66 | 86.72 | 76.37 | 66.29 | 65.62 |
N-073 | 21 | 20 | 21 | 21 | 84.96 | 74.79 | 65.02 | 65.26 | 84.15 | 75.34 | 64.45 | 63.71 |
nN(CO)2 | 23 | 24 | 27 | 25 | 86.77 | 73.72 | 66.05 | 64.37 | 85.78 | 73.22 | 63.76 | 62.96 |