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Administrator ChemFinder searches over the previously retrieved hit list. If no hits are found, a message appears asking whether to search over the entire database. As long as the Over Current List switch is on, each search further refines the current list. Use the Retrieve All command to reset. You may also use the Restore Previous List command, which acts like a “Back” button. Restore Previous List goes back one in the history, including any “Retrieve All”s you might have done. Entering a Structural Query To begin a structural query: 1. From the Search menu, choose Enter Query, to clear the form. 2. Place a structure into a data box use any of the following methods: a. Double-click in the structure box and edit with the ChemDraw ActiveX toolbar. b. Right-click and select Edit in ChemDraw. c. Right-click and use Read Structure... to open an existing molecule file. d. Use Paste from the Edit menu to insert a structure from the clipboard. 3. Choose Preferences from the Search menu, and click the Search Type tab. 4. Select the appropriate options. Optionally, select options on the Search Details tab as well. 5. Choose Find from the Search menu. The status bar counters indicate search progress. When the search is complete, the form displays the first hit. The list you can browse is limited to the hits. For Normal or Exact searches, the hit portion of each molecule is highlighted in red. If a search doesn’t find any hits, you are returned to query mode. TIP: You can change the highlight color in the preferences dialog. For example, to show no highlighting, choose black as the highlight color. See “Color Preferences” on page 342 for more information. Using the Current Molecule as a Query As you browse through a database, you may submit any structure on the screen as the structural query. Often, you use similarity or substructure searches (see above) with this type of query to find related compounds. To use the current molecule for a query: 1. Using the Record commands, go to the record containing the structure that you want to use as a query. 2. From the Search menu, choose Current Mol As Query. All boxes of the form are cleared except the structure so that the molecule on display can be used as part of the query. You can then continue with the query as if you had drawn the structure from scratch. Finding the Current Molecule The Find Current Molecule command, located in the Search menu and on the Search toolbar, is similar to the Current Mol as Query command discussed above. As you browse through the database you may find a molecule that interests you, and want to find other related records. The Find Current Molecule feature lets you perform a quick structural search of the structure currently being displayed on the form. However, this feature does not allow you to enter other search terms. The type of structure search (complete 330•Searching <strong>CambridgeSoft</strong> Searching Procedures
structure, substructure, and/or similarity) is determined by what you have selected in the Search menu. To find the current molecule: 1. Browse to the record containing the structure of interest. 2. From the Search menu, choose the type of structure search you want to perform. 3. From the Search menu, choose Find Current Mol. ChemFinder begins the search and displays the search status on the lower right corner of the status bar. When the search is complete, the form displays the first hit, and the list you can browse is restricted to the records hit by the query. Entering a Reaction Query The general procedure for creating a reaction query is very similar to creating a structural query. Clear the form: • From the Search menu, choose Enter Query. The form clears. 2. From the Search menu, choose Find. The search proceeds as with simple structure searching. Special Structure Searches The Find Structures submenu on the Search menu provides for several common types of searches that would be awkward or arcane to conduct using regular means. As with other searches, all of these searches operate within the current record set if the Over Current List option is in effect. Otherwise, the whole list is searched, regardless of how many records are currently displayed. ChemFinder Enter the query: 1. Double-click in the Structure box. The ChemDraw ActiveX toolbar appears. 2. Draw the structure or substructure or reaction in the From ChemFinder window. 3. Click somewhere in the form outside the Structure box. Now you can enter more query terms in the other data boxes for a combined search. 1. From the Search menu, select or deselect the Substructure option. NOTE: The Similarity option is not available for reaction queries. These are generic searches, made without entering any query information. The options are: • Empty Structures—Locates records containing no structure. It is equivalent to specifying a molecular weight of zero in a regular search. It is provided because the latter method is a bit obscure. • Reactions—Locates structures that are reactions. The same effect can be achieved by entering a bare arrow as a structure query. <strong>ChemOffice</strong> 2005/ChemFinder Searching • 331 Special Structure Searches
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License Information ChemOffice, Che
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· Licensed users of ChemOffice Ent
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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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Administrator Connection Table . .
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Administrator Specifying Properties
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CONSULTING & Consulting & Services
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CS Software Problem Report For fast
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