@@ -41,7 +41,7 @@ object Molecule extends LazyLogging {
4141 val hierarchy : DataFrame = processMoleculeHierarchy(mols)
4242 // combine molecule components
4343 val molCombined = mols
44- .drop(" cross_references" , " syns" , " chebi_par_id " )
44+ .drop(" cross_references" , " syns" )
4545 .join(synonyms, Seq (" id" ), " left_outer" )
4646 .join(crossReferences, Seq (" id" ), " left_outer" )
4747 .join(hierarchy, Seq (" id" ), " left_outer" )
@@ -72,7 +72,6 @@ object Molecule extends LazyLogging {
7272 col(" molecule_structures.canonical_smiles" ).as(" canonicalSmiles" ),
7373 col(" molecule_structures.standard_inchi_key" ).as(" inchiKey" ),
7474 coalesce(col(" molecule_type" ), lit(" Unknown" )).as(" drugType" ),
75- col(" chebi_par_id" ),
7675 col(" black_box_warning" ).as(" blackBoxWarning" ),
7776 col(" pref_name" ).as(" name" ),
7877 col(" cross_references" ),
@@ -156,8 +155,7 @@ object Molecule extends LazyLogging {
156155
157156 val chemblCrossReferences = processChemblCrossReferences(preProcessedMolecules)
158157 val singletonRefs : List [(String , String )] = List (
159- (" drugbank_id" , " drugbank" ),
160- (" chebi_par_id" , " chEBI" )
158+ (" drugbank_id" , " drugbank" )
161159 )
162160
163161 val references = singletonRefs
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