developer.autocomplete_metadata module

Script for membrane metadata autocomplete.

This script will try to fill further attributes in a membrane metadata file based on the information queried with the inchikey from: - UniChem - ChEMBL - ChEBI - PubChem - CAS Common Chemistry (requires the CAS_API_KEY environment variable)

Note

This file is meant to be used by automated workflows.

developer.autocomplete_metadata.check_api(url)

developer.autocomplete_metadata.get_chembl(inchikey)

developer.autocomplete_metadata.get_pubchem(inchikey)

developer.autocomplete_metadata.get_pubchem_synonyms(cid)

developer.autocomplete_metadata.get_chebi(chebi_id)

developer.autocomplete_metadata.get_metabolights(chebi_id)

developer.autocomplete_metadata.get_cas(inchikey)

developer.autocomplete_metadata.get_unichem(inchikey)

developer.autocomplete_metadata.extract_sameas(sources)

developer.autocomplete_metadata.get_chembl_id_from_unichem(sources)

developer.autocomplete_metadata.clean_text(value)

developer.autocomplete_metadata.safe_float(value)

developer.autocomplete_metadata.sanitize_sameas(sameas)

developer.autocomplete_metadata.load_existing_metadata(path)

developer.autocomplete_metadata.update_metadata(existing, new_data)

developer.autocomplete_metadata.main()