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.html , LipinskiFilters.pdf
Vignettes: Lipinski Evaluation of Drug Molecules (source, R code)

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:

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