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Using ChemFinder - CambridgeSoft

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the hit portion of each molecule is highlighted in<br />

red. If a search doesn’t find any hits, you are<br />

returned to query mode.<br />

Types of Structural Searches<br />

There are five structural search types that can be<br />

selected in the Preferences dialog box:<br />

• Exact Substructure.<br />

• Exact Full Structure.<br />

• Identity.<br />

• Similar Full Structure.<br />

• Similar Substructure.<br />

Substructure searches can be performed on single or<br />

multiple fragments.<br />

Substructure Searching<br />

Substructure searching, the default searching type,<br />

finds structures that contain the query and any<br />

additional attachments at the open positions. Results<br />

have the substructure highlighted in red. <strong>Using</strong><br />

ChemDraw Pro, you can attach different features,<br />

such as atom lists and variable bond types, to a query<br />

to perform a narrower or broader search.<br />

For more information about what query features you<br />

may use and how these features affect a search, see<br />

“Appendix A: Structural Query Features” on page 1.<br />

An example of substructure searching of<br />

Cyclopentane:<br />

This substructure query<br />

NOTE: In searching substructures, <strong>ChemFinder</strong><br />

finds the substructure query regardless of its<br />

orientation or drawing presentation in the targeted<br />

molecules. Bonds shown in bold above are actually<br />

highlighted in red in <strong>ChemFinder</strong>.<br />

For more examples of substructure searching, see<br />

“More Search Examples” on page 97.<br />

Fragment Searching<br />

You can draw more than one structure or structure<br />

fragment in your substructure search query. You can<br />

choose whether to permit fragments to overlap in the<br />

target structure Search Preferences dialog box. For<br />

more information, see “Chapter 8: Customizing<br />

<strong>ChemFinder</strong>.”.<br />

For example, if you perform the following<br />

substructure query with “Query fragments can<br />

overlap in target” selected:<br />

<strong>ChemFinder</strong> 8 Chapter 5: Searching • 89<br />

Structure Searching<br />

HO<br />

O<br />

will hit<br />

O<br />

and other molecules<br />

O

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