|MolSearch APINot applicable. JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setFilterQuery(filterQueryString); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);Sets the SQL query for filtering. The result should contain cd_id values of the desired records of the structure table. JChem Oracle CartridgeUse the jc_compare operator with filterQuery:select-statementExample: The following SQL statement performs a search on a subset of the structures stored in the JChem-generated table jc_nci_10m and returns the number of structures in the subset which contain aromatic ring. The subset considered for the search is specified to belong to project #502:
SELECT count(*) FROM jc_nci_10m WHERE jc_compare(structure, 'c1ccccc1', 'sep=! t:s!filterQuery:select cd_id from jc_nci_10m where projid = 502') = 1The query in
select-statement will be first executed, then the search will be performed only on the rows returned by the
select-statement must return a single column containing the identifier of the rows to be included in the search. The row identifier is
cd_id in case of JChem tables and
rowid in case of plain Oracle tables.jcsearch command line toolNot applicable.