perform_variable_selection

This function performs variable selection using regression subsets method.

Quantitative Structure-Activity Relationship (QSAR) modeling is a valuable tool in computational chemistry and drug design, where it aims to predict the activity or property of chemical compounds based on their molecular structure. In this vignette, we present the 'rQSAR' package, which provides functions for variable selection and QSAR modeling using Multiple Linear Regression (MLR), Partial Least Squares (PLS), and Random Forest algorithms.

Oche Ambrose George

rQSAR

QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random
Forest

perform_variable_selection function

<dl><dt>file_path</dt>
<dd>The file path of the dataset.</dd>
<dt>outcome_col</dt>
<dd>The name of the outcome column.</dd>
<dt>des_sel_meth</dt>
<dd>The method for variable selection (default is "exhaustive").</dd></dl>

Arguments

Perform variable selection using regression subsets — perform_variable_selection

<dl>

<dt>file_path</dt>
<dd>The file path of the dataset.</dd>


<dt>outcome_col</dt>
<dd>The name of the outcome column.</dd>


<dt>des_sel_meth</dt>
<dd>The method for variable selection (default is "exhaustive").</dd>

</dl>

perform_variable_selection: Perform variable selection using regression subsets

Description

Usage

Value

Arguments