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Administrator The Table view appears. Browse to verify that the molecular weights are correct. NOTE: A molecular weight query is a decimal value or range. The precision of the search depends on the number of significant digits entered. For more information on molecular weight searching, see “Numeric Searches” on page 318. Substructure Searching To enter a query and search for a substructure: 1. From the Search menu, choose Enter Query. The form is cleared to allow you to enter your search terms. The status indicator in the status bar is changed to remind you that you are in query mode and the color of the form may change. To set the correct options for a substructure search: 1. From the Search menu, select Substructure if it is not already selected. 2. From the Search menu, deselect Similarity if it is selected. NOTE: You can also set search preferences on the Search tab of the Preferences dialog box. For more information, see Chapter 24, “Customizing ChemFinder” on page 341 The Search menu should appear as follows: 2. Double-click in the Structure box. A blue box is displayed around the Structure box and the ChemDraw ActiveX toolbar appears. 3. Draw benzene. 3. From the Search menu, choose Find. ChemFinder begins searching. The progress of the search is indicated by counters in the status bar at the bottom of the window. When the search is complete, the number of hits is displayed in the Current List Size window of the Status Bar, and the form displays the first hit. 242•ChemFinder Tutorials CambridgeSoft Tutorial 4: Searching a Database
In this search you get 123 hits of structures that contain an aromatic six-membered ring. The list you can browse is limited to the hits found in the search. In a substructure search, the matched portion of each molecule is highlighted in red. TIP: Some users prefer not to see red highlighting because it masks the atom colors. You can change the highlight color on the Color tab of the Preferences dialog box. Selecting “black” will effectively cancel highlighting, leaving atoms to display in their normal colors. NOTE: If a search gets no hits, an alert appears and you are returned to the query mode with the query on display. Combined Searching In some cases, you may want to combine structure searching with text searching to find a specific class of compounds. For example, you may want to find all compounds in the database that have a benzene substructure and that have a molecular weight greater than 400. 6. From the View menu, point to Data Table, and choose In Current Window. The Table view appears. Browse to verify that the molecular weights are correct. Congratulations! You have completed the tutorial on searching a database using ChemFinder. You may now close the CS_Demo database. Tutorial 5: Reaction Queries In addition to helping you organize information about individual substances, ChemFinder also allows you to store and search chemical reactions. There are many ways to search reactions, depending on what sort of information you are interested in. In this set of exercises, you learn some general methods to search for different parts of reactions using a sample from the ISICCR database. This database is included with ChemFinder as a sample database of approximately 250 reactions extracted from the ISI’s ChemPrep database of Current Chemical Reactions. ChemFinder To perform a combined search: 1. From the Search menu, choose Enter Query. The form is cleared so that you can enter a new query. 2. Double-click in the Structure box. The ChemDraw ActiveX toolbar appears. 3. Draw benzene. 4. Click the Molecular Weight box and type >400. 5. Press the Enter key. You get 8 hits from the 285 records in the database. Opening A Specific Database To open the ISICCR database: 1. From the File menu, choose Open. The Open dialog box appears. 2. In the Samples directory, select Isiccr.cfw, and click Open. NOTE: The ISICCR.cfw form is formatted for a large screen (1024 X 768). If you have a smaller screen, open ISICCRsm.cfw for a simpler form. ChemOffice 2005/ChemFinder ChemFinder Tutorials • 243 Tutorial 5: Reaction Queries
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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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Administrator Reaction Center . . .
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Administrator Redo command 269, 299
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Administrator User interface 9 User
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Administrator xxxviii• CambridgeS
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CAMBRIDGESOFT ChemOffice Desktop to
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CS ChemOffice Software Suites ChemO
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DESKTOP CS E-Notebook Electronic Jo
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DESKTOP CS ChemDraw Chemical Struct
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DESKTOP CS Chem3D Molecular Modelin
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DESKTOP CS ChemFinder Searching and
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DESKTOP CS ChemInfo Reference and C
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ENTERPRISE ChemOffice WebServer Ent
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ENTERPRISE Oracle Cartridge Enterpr
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KNOWLEDGE E-Notebook Enterprise Des
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KNOWLEDGE Document Manager Desktop
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KNOWLEDGE 21CFR11 Compliance Electr
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RESEARCH & Registration System Chem
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RESEARCH & Inventory Manager Chemic
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RESEARCH & CombiChem Enterprise Des
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RESEARCH & BioAssay HTS Biological
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RESEARCH & BioSAR Browser Biologica
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CHEMICAL ChemACX Database Available
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CHEMICAL The Merck Index Chemistry
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CHEMICAL Chemical Databases Referen
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CONSULTING & Consulting & Services
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CS Software Problem Report For fast
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