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Search Type Administrator Normal Searching A Normal search finds structures that either contain (Substructure) or match (Full Structure) the query. When drawing a structure query, you can attach different features to a query, such as atom lists and variable bond types, to perform a narrower or broader search. You can also modify the results of a Normal search by selecting options in the Search Details tab of the Preferences dialog box. 2. From the Column menu, choose a field. 3. Paste or type a list of field parameters into the Find List text box. 4. Click OK. The list of matching records is retrieved. Structure Searches You can search a ChemFinder database by sub- or full structure for similarity or exact matching. To define your search more precisely, use the query functions in ChemDraw. These are described in Chapter 9 of the ChemDraw User Manual, and in Appendix K: “Structural Query Features.” in this manual. ChemFinder matches structures in three ways: • Search type (Normal/Exact/Similar) • Structure mode (sub- or full structure) • Tautomerism NOTE: Not all options for each type are compatible with other types. For example, Tautomeric searches must be either Exact or Normal. The query structure is highlighted in red in the hitlist structures to visualize the match. Exact Searching NOTE: The Exact search type was known as the Identity search type in previous versions of ChemFinder. The Exact search type is intended for use in compound registration, when you must know if a perfectly identical copy of your query compound is already present in the database. It is similar to a Normal Full Structure search, except that generic atom and bond types such as R, A, and Double-or- Aromatic in the query will match corresponding atom and bond types in the target only if they are also of the same generic type. Thus, an R hits only 320•Searching <strong>CambridgeSoft</strong> Structure Searches
another R atom. Moreover, stereochemistry must match precisely between query and target. If the stereochemistry of the query is unspecified, it will only hit targets which do not specify stereochemistry. The Search Details tab in the Preferences dialog box is unavailable for Exact searches. Similarity Searching A Similarity search finds structures that have structural features that generally correspond to those in the query. Similarity searches are by their nature “fuzzy”. In a Full Structure similarity search, the results are guaranteed to include all hits you would obtain from a substructure search with the same query. Usually, they include additional hits. For this reason, similarity searches are useful if you have a general idea of the types of compounds you are looking for, but don’t have a precise conception of the target compound. Unlike exact searches, similarity searches do not highlight matched portions of the target compounds. Similarity searching matches general structural features and not specific atoms and bonds, so highlighting specific areas would not be appropriate. You can adjust the degree of similarity by using the slider on the Search Type tab of the Search Preferences dialog box. For a detailed description of the similarity searching algorithms, see Appendix M “Similarity Rules.”. Substructure Searching The default search type is Normal Substructure searching. It finds structures that contain the query, plus any additional attachments at the open positions. The substructure is highlighted in red in the hitlist structures. Using the ChemDraw ActiveX toolbar, you can attach different features to a query, such as atom lists and variable bond types, to perform a narrower or broader search. For more information about what query features you may use and how these features affect a search, see Appendix K “Structural Query Features.”. An example of substructure searching of Cyclopentane: This substructure query will hit HO O NOTE: In searching substructures, ChemFinder finds the substructure query regardless of its orientation or drawing presentation in the targeted molecules. Bonds shown in bold above are actually highlighted in red in ChemFinder. Fragment Searching You can draw more than one structure or structure fragment in your substructure search query. In the Search Details tab of the Preferences dialog box, you may allow fragments to overlap in the target structure. For example, if you perform the following substructure query with Query fragments may overlap in target selected: O and other molecules ChemFinder <strong>ChemOffice</strong> 2005/ChemFinder Searching • 321 Structure Searches
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Q: IS IT OK TO COPY MY COLLEAGUE’
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A Guide to CambridgeSoft Manuals An
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Chapter 31: Changes and Audit Trail
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Administrator Tutorial 7: Docking M
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CONSULTING & Consulting & Services
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CS Software Problem Report For fast
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