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
 [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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