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rQSAR
View on CRAN: Click
here
Download and install rQSAR package within the R console
Install from CRAN:
install.packages("rQSAR")
Install from Github:
library("remotes")
install_github("cran/rQSAR")
Install by package version:
library("remotes")
install_version("rQSAR", "1.0.0")
Attach the package and use:
library("rQSAR")
Maintained by
Oche Ambrose George
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First Published: 2024-04-02
Latest Update: 2024-04-02
Description:
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.
How to cite:
Oche Ambrose George (2024). rQSAR: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random Forest. R package version 1.0.0, https://cran.r-project.org/web/packages/rQSAR
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