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Specify the query structure
There are four possibilities to specify the query structure:
(You can find additional information in Structure Filter topic of the separate User's Guide of JChem for Excel.)
Basic Search Options
When opening Import from Database dialog and connecting to a database table this search option group drop-down list is opened by default, the other groups remain closed. In this group most frequently used search options are collected. Depending on the selected search type, different options will be present in this group, e.g. when selecting Substructure search all options are available as in the image above. But when selecting Similarity search, only three options are displayed, the others are located at their original place, e.g. Chemistry or General Search Options.
If you change from default value "Substructure Search" to "Duplicate Search", the value of Stereochemistry option is automatically set to Exact.
Please note, that Similarity Threshold option is NOT available in the Structure Filter menu, because the structure search method is different than the one implemented in Import from Database.
You can also determine the maximum number of results to be displayed.
If you set this option from False to True on the sheet only those structures and data will be displayed, which don't fit the search criteria. This option is active with all types of databases and searches, except Oracle databases with cartridge search.
Chemistry Search Options
There are some chemistry related parameters to be applied in the search. The detailed description of different search criteria can be found here:
General Search Options
Chemical Terms Filter
You can specify a filter using chemical terms by using different expressions described in Chemical Terms Reference Table.
The maximum time interval of running the search can be specified here.
The query structure applied for the search when importing is specified here.
You can select JChem Cartridge and JChem Base search method. In case of views, it is not possible to recognize the indexed columns from schema, therefore all possible search methods are displayed. You have to select manually both the search method and the column with structure.
Structure columns available in the connected database table are listed here and can be selected from the drop-down list.
In case of views the users can select which one of the listed columns should be handled as structure column. The following column names will be selected by default in the following order: CD_STRUCTURE, STRUCTURE, CD_SMILES, SMILES. If none of these columns are available the first will be set as target column.
Hit Alignment Mode: You can read a detailed description of this option here: http://www.chemaxon.com/jchem/doc/user/query_hitdisplay.html.
Hit Color and Non hit color: You can specify the color of hit structures and non-hit structures with this option.
Hit Coloring: by setting this option to True or False, you can display hit structures with the selected colors.
Hit coloring and hit alignment can be applied separately by setting the Hit Alignment Mode to Rotate (or Partial) and Hit Coloring option to True or False. This way you can display hit structures rotated as the query structure without coloring them.
Hit Alignment Mode: Off
Hit Color: Red
Hit Coloring: True
Non Hit Color: Grey)
Other query options can be specified in the property grid. You can find additional information about the JChem query options at http://www.chemaxon.com/jchem/doc/user/queryindex.html