Performance Analysis Of Regularized Linear Regression Models For Oxazolines And Oxazoles Derivitive Descriptor Dataset
This work addresses model selection for chemoinformatics researchers dealing with high-dimensional data, but it is incremental as it applies existing regularization methods to a new dataset.
The paper tackled the problem of selecting and evaluating regularized linear regression models for a high-dimensional chemical dataset of Oxazolines and Oxazoles derivatives, finding that elastic net and lars performed similarly to lasso and relaxed lasso, all outperforming ridge regression in terms of RMSE and R-squared metrics.
Regularized regression techniques for linear regression have been created the last few ten years to reduce the flaws of ordinary least squares regression with regard to prediction accuracy. In this paper, new methods for using regularized regression in model choice are introduced, and we distinguish the conditions in which regularized regression develops our ability to discriminate models. We applied all the five methods that use penalty-based (regularization) shrinkage to handle Oxazolines and Oxazoles derivatives descriptor dataset with far more predictors than observations. The lasso, ridge, elasticnet, lars and relaxed lasso further possess the desirable property that they simultaneously select relevant predictive descriptors and optimally estimate their effects. Here, we comparatively evaluate the performance of five regularized linear regression methods The assessment of the performance of each model by means of benchmark experiments is an established exercise. Cross-validation and resampling methods are generally used to arrive point evaluates the efficiencies which are compared to recognize methods with acceptable features. Predictive accuracy was evaluated using the root mean squared error (RMSE) and Square of usual correlation between predictors and observed mean inhibitory concentration of antitubercular activity (R square). We found that all five regularized regression models were able to produce feasible models and efficient capturing the linearity in the data. The elastic net and lars had similar accuracies as well as lasso and relaxed lasso had similar accuracies but outperformed ridge regression in terms of the RMSE and R square metrics.