get_substructure_library

get_substructure_library(version: VersionHint | None = None, *, max_heavy: int = 75, prefix: Sequence[str] | None = None, **kwargs: Any) → rdkit.Chem.rdSubstructLibrary.SubstructLibrary[source]

Get the ChEMBL substructure library.

Parameters:

version – The version number of ChEMBL to get. If none specified, uses latest() to look up the latest.
max_heavy – The largest number of heavy atoms that are considered before skipping the molecule.
prefix – The directory inside pystow to use
kwargs – keyword arguments to pass through to rdkit.Chem.ForwardSDMolSupplier, such as sanitize and removeHs via supplier().

Returns:

A substructure library object