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LipinskiFilters (version 1.0.1)

Computes and Visualize Lipinski's Parameters

Description

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.

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Version

Install

install.packages('LipinskiFilters')

Monthly Downloads

154

Version

1.0.1

License

MIT + file LICENSE

Maintainer

Oche Ambrose George

Last Published

March 11th, 2024

Functions in LipinskiFilters (1.0.1)

mols

Molecules read into R in sdf format
compute_properties

Compute molecular properties
test_lipinski_rule

Test Lipinski's Rule of Five
predict_oral_bioavailability

Predict oral bioavailability
assess_drug_likeness

Assess drug-likeness
create_lipinski_plots

Create Lipinski plots