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LipinskiFilters: Computes and Visualize Lipinski's Parameters

This computes Lipinski Rule of Five parameters and offers visualization for drug discovery. It analyzes molecular properties like molecular weight, hydrogen bond donors, acceptors, and ALogP, providing histograms and pass/fail status plots for efficient compound evaluation, aiding in drug development.

Version: 1.0.1
Depends: R (≥ 3.6.0), cowplot, rcdk (≥ 3.8.1), ggplot2
Imports: itertools (≥ 0.1-3), utils, knitr
Suggests: rmarkdown
Published: 2024-03-11
DOI: 10.32614/CRAN.package.LipinskiFilters
Author: Oche Ambrose George ORCID iD [aut, cre]
Maintainer: Oche Ambrose George <ocheab1 at gmail.com>
License: MIT + file LICENSE
NeedsCompilation: no
CRAN checks: LipinskiFilters results

Documentation:

Reference manual: LipinskiFilters.pdf
Vignettes: Lipinski Evaluation of Drug Molecules

Downloads:

Package source: LipinskiFilters_1.0.1.tar.gz
Windows binaries: r-devel: LipinskiFilters_1.0.1.zip, r-release: LipinskiFilters_1.0.1.zip, r-oldrel: LipinskiFilters_1.0.1.zip
macOS binaries: r-release (arm64): LipinskiFilters_1.0.1.tgz, r-oldrel (arm64): LipinskiFilters_1.0.1.tgz, r-release (x86_64): LipinskiFilters_1.0.1.tgz, r-oldrel (x86_64): LipinskiFilters_1.0.1.tgz

Linking:

Please use the canonical form https://CRAN.R-project.org/package=LipinskiFilters to link to this page.

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.