Package: rQSAR
Title: QSAR Modeling with Multiple Algorithms: MLR, PLS, and Random
        Forest
Version: 1.0.0
Authors@R: 
    person("Oche Ambrose", "George", email = "ocheab1@gmail.com", role = c("aut", "cre"),
           comment = c(ORCID = "0000-0002-3979-6232"))
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.
License: MIT + file LICENSE
Encoding: UTF-8
RoxygenNote: 7.2.3
Depends: R (>= 3.6.0), dplyr, corrplot, tibble, gridExtra
Imports: utils, rcdk (>= 3.8.1), ggplot2, caret, pls,randomForest,
        leaps, stats
VignetteBuilder: knitr
NeedsCompilation: no
Packaged: 2024-04-02 08:26:12 UTC; USER
Author: Oche Ambrose George [aut, cre]
    (<https://orcid.org/0000-0002-3979-6232>)
Maintainer: Oche Ambrose George <ocheab1@gmail.com>
Repository: CRAN
Date/Publication: 2024-04-02 13:22:04 UTC
Suggests: rmarkdown,knitr
Built: R 4.6.0; ; 2026-04-30 16:06:56 UTC; unix
