Two‐step hybrid modeling for variable selection and estimation: An application to quantitative structure activity relationship study
Henrietta Ebele Oranye,
Fidelis Ifeanyi Ugwuowo,
Kingsley Chinedu Arum
Abstract:In this study, we developed a simple technique for effective parameter estimation and prediction of the quantitative structure activity relationship studies using a two‐step procedure. The first step is to choose the important molecular descriptors using the random forest regression, and the second step is to optimally predict the biological activity of the selected chemical compounds using the following estimators: ridge regression, jackknife ridge, Liu regression, jackknife Liu, Kibria–Lukman, and jackknife … Show more
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