Research Article
A Network Pharmacology-Based Approach to Investigate the Novel TCM Formula against Huntington’s Disease and Validated by Support Vector Machine Model
Table 1
Genetic Function Approximation (GFA) studies with CK2A2 protein.
| Model | r2 | r2 (adj) | r2 (pred) | RMS Residual Error | Friedman L.O.F. | S.O.R. F-value | S.O.R. p-value |
| pIC50_1 = 7.7375 − 0.37907 ES_Count_ssCH2 + 1.241 Num_Rings5 − 3.1053 CIC − 2.7227 JX − 0.045277 Jurs_PNSA_3 − 0.04508 Strain_Energy − 0.0033914 PMI_X + 0.77384 Shadow_Ylength | 0.8752 | 0.8299 | 0.7351 | 0.2877 | 0.4128 | 19.29 | 2.886e-008 |
| pIC50_2 = -2.9109 − 0.36552 ES_Count_ssCH2 + 1.3155 Num_Rings5 − 2.7949 JX + 12.751 SIC − 0.064703 Jurs_PNSA_3 + 0.0050522 Jurs_WNSA_2 − 0.047705 Strain_Energy + 0.55252 Shadow_Ylength | 0.8751 | 0.8296 | 0.7426 | 0.2879 | 0.4133 | 19.26 | 2.926e-008 |
| pIC50_3 = -3.4898 − 0.37365 ES_Count_ssCH2 + 1.3929 Num_Rings5 + 14.011 BIC − 2.4178 JX − 0.073379 Jurs_PNSA_3 + 0.006691 Jurs_WNSA_2 − 0.046048 Strain_Energy + 0.56523 Shadow_Ylength | 0.8747 | 0.8291 | 0.7400 | 0.2884 | 0.4146 | 19.19 | 3.026e-008 |
| pIC50_4 = -8.4336 − 0.37402 ES_Count_ssCH2 + 1.2103 Num_Rings5 − 2.1622 JX + 14.991 SIC − 0.044757 Jurs_PNSA_3 − 0.044286 Strain_Energy − 0.0039811 PMI_X + 0.80898 Shadow_Ylength | 0.8743 | 0.8286 | 0.7325 | 0.2888 | 0.4158 | 19.13 | 3.116e-008 |
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GFA algorithm is also constructed in other target proteins the same way.
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