compute_properties

This function computes molecular properties based on input molecules.

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.

Oche Ambrose George

LipinskiFilters

Computes and Visualize Lipinski's Parameters

compute_properties function

<dl><dt>mols</dt>
<dd>Molecules data.</dd></dl>

Arguments

Compute molecular properties — compute_properties

<dl>

<dt>mols</dt>
<dd>Molecules data.</dd>

</dl>

compute_properties: Compute molecular properties

Description

Usage

Value

Arguments