In this document the search options concerning tautomers are summarized and their usage is shown in different search interfaces.
| #### Tautomer search See detailed description of tautomer search here. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setTautomerSearch( SearchConstants.TAUTOMER_SEARCH_DEFAULT / SearchConstants.TAUTOMER_SEARCH_ON / SearchConstants.TAUTOMER_SEARCH_OFF / SearchConstants.TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setTautomerSearch( SearchConstants.TAUTOMER_SEARCH_DEFAULT / SearchConstants.TAUTOMER_SEARCH_ON / SearchConstants.TAUTOMER_SEARCH_OFF / SearchConstants.TAUTOMER_SEARCH_ON_IGNORE_TAUTOMERSTEREO ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with tautomerSearch:d/y/n/is d: (default) behavior is defined by the search context: tautomer search is turned on for duplicate searches in a tautomer duplicate database table; it is turned off in all other contexts y: on; n: off; is: ignore tautomer stereo (tautomer search is turned on but stereo information is ignored in the tautomer regioms).jcsearch command line toolUse the following command line parameter:--tautomerSearch:d/y/n/is d: (default) behavior is defined by the search context: tautomer search is turned on for duplicate searches in a tautomer duplicate database table; it is turned off in all other contexts; y: on; n: off; is: ignore tautomer stereo (tautomer search is turned on but stereo information is ignored in the tautomer regioms). |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |