In this document the search options concerning polymers and bracket components are summarized and their usage is shown in different search interfaces.
| #### Copolymer matching Adjusts copolymer matching mode. If y(yes)/true then target polymers in copolymers can only be matched by query polymers in copolymers. Default value is n (no)/false. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setCopolymerMatching( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setCopolymerMatching( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with copolymerMatching:y/njcsearch command line toolUse the following command line parameter:--copolymerMatching:y/n |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |
| #### Ignore mixture brackets Adjusts mixture matching. True - if COM, MIX and FOR sgroups should be considered during search. Default value is true. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setMixSgroupMatching( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);Default value is true.JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setMixSgroupMatching( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);Default value is trueJChem Oracle CartridgeUse the jc_compare operator with mix:d/i, which specifies whether COM, MIX and FOR sgroups should be considered during search. d (default): do consider; i: ignore.Example: SELECT count(*) FROM nci_150k WHERE jc_compare(structure, 'Brc1ccccc1', 't:s mix:i') = 1;jcsearch command line toolUse the following command line parameter:--mix:d/i, where d: default; i: ignore brackets. |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |
| #### Ignore polymer brackets Adjusts polymer matching. True - if polymer sgroups should be considered during search. Default value is true. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setPolymerMatching( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setPolymerMatching( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with polymer:d/i. d (default): do consider; i: ignore polymer brackets.jcsearch command line toolUse the following command line parameter:--polymer:d/i, where d: default; i: ignore brackets. |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |
| #### Polymer end group matching Adjusts polymer end group matching. True - if polymer end groups should be matched during search. In this case the star atom can't match on a specified end group. Default value is true. See examples here. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setEndgroupMatching( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setEndgroupMatching( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with endGroupMatching:y/n. yes (default); n: no.jcsearch command line toolUse the following command line parameter:--endGroupMatching:y/n y: yes (default); n: no |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |
| #### Polymer phase-shift Adjusts if the phase shifted polymer should match on the original. True if the phase shifted should be matching; false otherwise. Default value is true. See examples here. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setPhaseShiftedMatching( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setPhaseShiftedMatching( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with phaseShift:y/n. yes (default); n: no.jcsearch command line toolUse the following command line parameter:--phaseShift:y/n y: yes (default); n: no. |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |
| #### Transform monomer representation Adjusts if monomers should be transformed to structural repeating units if the monomer is polymerizable. Polymers in their source based representation are transformed to structure based representation. True - if monomers should be transformed, false otherwise. Default value is true. See examples here. |
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MolSearch API MolSearchOptions searchOptions = new MolSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setMonomerTransform( true / false ); // ... MolSearch searcher = new MolSearch(); searcher.setSearchOptions(searchOptions);JChemSearch API JChemSearchOptions searchOptions = new JChemSearchOptions(SearchConstants.SUBSTRUCTURE); searchOptions.setMonomerTransform( true / false ); // ... JChemSearch searcher = new JChemSearch(); searcher.setSearchOptions(searchOptions);JChem Oracle CartridgeUse the jc_compare operator with transformMonomer:y/n yes (default); n: no.jcsearch command line toolUse the following command line parameter:--transformMonomer:y/n y: yes (default); n: no. |
| See the availability of the option in further ChemAxon products: InstantJChem JChem for Excel * Plexus Suite Home |