International Journal of Medicinal Chemistry

Research Article

Computational Study of Estrogen Receptor-Alpha Antagonist with Three-Dimensional Quantitative Structure-Activity Relationship, Support Vector Regression, and Linear Regression Methods

Table 4

The model equations generated by support vector regression and linear regression.
   Constant RMSE
LR models
Equation pIC50 =      +7.540.7364
Equation pIC50 =    +7.540.7368
Equation pIC50 =       +7.540.7370
Equation pIC50 =     +7.540.7374
Equation pIC50 =   +7.540.7384
Equation pIC50 =−0.01   +7.540.7483
Equation pIC50 =        +7.540.7484
Equation pIC50 =     +7.540.7492
Equation pIC50 =       +7.540.7539
Equation pIC50 =         +7.540.7542
SVM models
Equation pIC50 =       +7.500.7294
Equation pIC50 =       +7.570.7155
Equation pIC50 =    +7.550.7104
Equation pIC50 =       +7.600.7408
Equation pIC50 =   +7.560.7430
Equation pIC50 =    +7.620.7114
Equation pIC50 =     +7.570.7298
Equation pIC50 =      +7.590.7519
Equation pIC50 =    +7.620.7523
Equation pIC50 =        +7.580.7273
Equation pIC50 =         +7.530.7478
Equation pIC50 =       +7.620.7437
Equation pIC50 =        +7.570.7462
Equation pIC50 =         +7.550.7366
Equation pIC50 =   +7.670.7580