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: 2026-10-10 15:33:23 UTC; root
Author: Oche Ambrose George [aut, cre]
        (<https://orcid.org/0000-0002-3979-6232>)
Maintainer: Oche Ambrose George <ocheab1@gmail.com>
Suggests: rmarkdown,knitr
Config/pak/sysreqs: make default-jdk libicu-dev libpng-dev
Repository: https://ocheab.r-universe.dev
Date/Publication: 2024-04-03 07:14:11 UTC
RemoteUrl: https://github.com/cran/rQSAR
RemoteRef: HEAD
RemoteSha: 5fcc3a1572b3f76b653b6ac0dab30142bdafc60c