mordred.TopoPSA module

class mordred.TopoPSA.TopoPSA(no_only=True)[source]

Bases: mordred._base.descriptor.Descriptor

topological polar surface area descriptor(NO only: rdkit wrapper).

Parameters:no_only (bool) –
  • True: N,O only TPSA
  • False: all(N,O,S,P) TPSA
References
parameters()[source]
rtype

alias of float

as_argument

argument representation of descriptor

coord

get 3D coordinate

explicit_hydrogens = True
fail(exception)

raise known exception and return missing value

kekulize = False
mol

get molecule

require_3D = False
require_connected = False
rethrow_na(exception)

treat any exceptions as known exception

rethrow_zerodiv()

treat zero div as known exception