compute_properties: Compute molecular properties
In LipinskiFilters: Computes and Visualize Lipinski's Parameters
compute_properties R Documentation
Compute molecular properties
Description
This function computes molecular properties based on input molecules.
Usage
compute_properties(mols)
Arguments
mols
Molecules data.
Value
Data frame with calculated properties including Molecular Weight (MW),
number of Hydrogen Bond Donors (nHBDon), number of Hydrogen Bond Acceptors (nHBAcc),
Topological Polar Surface Area (TPSA), and ALogP.
LipinskiFilters documentation built on May 29, 2024, 1:37 a.m.
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| compute_properties | R Documentation |
Compute molecular properties
Description
This function computes molecular properties based on input molecules.
Usage
compute_properties(mols)
Arguments
mols |
Molecules data. |
Value
Data frame with calculated properties including Molecular Weight (MW), number of Hydrogen Bond Donors (nHBDon), number of Hydrogen Bond Acceptors (nHBAcc), Topological Polar Surface Area (TPSA), and ALogP.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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