get_chemreps_df

get_chemreps_df(version=None, *, prefix=None)

Download and parse the latest ChEMBL chemical representations file.

Parameters:

• version (Optional[str]) – The version number of ChEMBL to get. If none specified, uses latest() to look up the latest.

• prefix (Optional[Sequence[str]]) – The directory inside pystow to use

Return type:

DataFrame

Returns:

A dataframe with four columns: 1. chembl_id 2. canonical_smiles 3. standard_inchi 4. standard_inchi_key