PubChem

pc

The PubChem vocabulary module.

IUPAC_name = Property(CHEMINF.IUPAC_Name_generated_by_LexiChem, Text).register(label='IUPAC name', description='IUPAC Name generated by LexiChem') module-attribute

The IUPAC name property.

isotope_atom_count = Property(CHEMINF.isotope_atom_count_generated_by_pubchem_software_library, Quantity).register(label='isotope atom count', description='isotope atom count generated by pubchem software library') module-attribute

The isotope atom cound property.

molecular_weight = Property(CHEMINF.molecular_weight_calculated_by_the_pubchem_software_library, Quantity).register(label='molecular weight', description='molecular weight calculated by the pubchem software library') module-attribute

The molecular weight property.

CID(name, label=None, aliases=None, description=None, context=None)

Creates a PubChem compound item with the given descriptors.

Parameters:

• name (int | str) –

  Name.

• label (TText | None, default: None ) –

  Label.

• aliases (TTextSet | None, default: None ) –

  Aliases.

• description (TText | None, default: None ) –

  Description.

• context (Context | None, default: None ) –

  KIF context.

Returns:

• Item –

  Item.

patent(name, label=None, aliases=None, description=None, context=None)

Creates a PubChem patent item with the given descriptors.

Parameters:

• name (str) –

  Name.

• label (TText | None, default: None ) –

  Label.

• aliases (TTextSet | None, default: None ) –

  Aliases.

• description (TText | None, default: None ) –

  Description.

• context (Context | None, default: None ) –

  KIF context.

Returns:

• Item –

  Item.

reload(force=True, context=None)

Reloads the pc module.

Parameters:

• force (bool, default: True ) –

  Force reload.

• context (Context | None, default: None ) –

  KIF context.

source(name, label=None, aliases=None, description=None, context=None)

Creates a PubChem source item with the given descriptors.

Parameters:

• name (str) –

  Name.

• label (TText | None, default: None ) –

  Label.

• aliases (TTextSet | None, default: None ) –

  Aliases.

• description (TText | None, default: None ) –

  Description.

• context (Context | None, default: None ) –

  KIF context.

Returns:

• Item –

  Item.