mdonatello.properties.TPSA

class mdonatello.properties.TPSA(mol: Mol)

A class for calculating the TPSA value of a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule for which the TPSA value is being calculated.

Returns:

float

The TPSA value of the molecule.

__init__(mol: Mol)

Initializes the Property class with a molecule.

Parameters:

molChem.Mol

The RDKit Mol object of the molecule.

Methods

__init__(mol)

Initializes the Property class with a molecule.

Attributes

name
property_value	Calculates the TPSA (Topological Polar Surface Area) value of the molecule.
values_format