identifier_conversion

source

.identifier_conversion(
   input_type, compound_list
)

---

Use Metaboanalyst API for identifier conversion

Args

• input_type (str) : identifier type present in input data - any of ('name', 'hmdb', 'pubchem', 'chebi', 'metlin', 'kegg')
• compound_list (list) : list of identifiers in the data

Returns

(pd.DataFrame) Dataframe containing identifier matches

---

map_identifiers

source

.map_identifiers(
   query_df, output_id_type, matrix
)

---

Map desired identifiers to input data

Args

• query_df (pd.DataFrame) : DataFrame obtained using the identifier_conversion function containing ID mappings
• output_id_type (str) : Any of ('Match', 'HMDB', 'PubChem', 'ChEBI', 'KEGG', 'METLIN','SMILES')
• matrix (pd.DataFrame) : sample-by-compound metabolomics data matrix

Returns

Sample-by-compound metabolomics data matrix with mapped identifiers, any compounds without a matching ID will be dropped