Using ChemFinder - CambridgeSoft

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BioSAR Browser RESEARCH & Biological and Chemical Meta Data Catalog BioSAR Browser BioSAR Browser, a strategic must for any discovery organization interested in serious data mining, is a data-dictionary driven structure-activity analysis program. Users may choose among assays registered in the dictionary or search for assays of interest. Providing Catalog Capabilities The power of BioSAR Browser lies in the researcher’s freedom from dependence on IT support. Once an assay is registered into the data-dictionary it is automatically included in the powerful analysis framework. By reducing the time between question and answer, BioSAR Browser gives researchers the freedom to explore new ideas—the bottom line for discovery information systems. Systems that provide answers after questions have become irrelevant are of no use. BioSAR Browser avoids this by placing application development in the researcher’s control. Forms & Tables in a Unified Interface While most SAR tools provide only a table-based interface, BioSAR Browser provides a forms-based interface in addition to a tabular view. Researchers have demonstrated that both form and tabular views are essential. Forms provide highly detailed information about one compound, whereas tabular views make comparisons between Data Dictionary Organizes Reports Form and Table Views
DISCOVERY • Catalog driven data mining and analysis operation • Both form and table views available within simple web interface; ChemDraw for Spotfire • Role based security specifies operations allowed for administrators, publishers and browsers compounds more feasible. There is often a tradeoff between power and simplicity, and most SAR tools opt for the former at the expense of the latter. BioSAR Browser, however, merges the sophistication of a powerful data catalog technique with knowledge gained through years of working closely with users. The result is a SAR application that is as intuitive as it is powerful. Security & Convenience Security within BioSAR Browser is highly granular. Different roles exist for administrators, publishers, and browsers. Administrators may add assays to the data catalog engine, publishers may create reports and publish them, and browsers may use data query and analysis. Most data mining tools provide a mechanism to store queries, but the interface for creating queries is too complex. With BioSAR Browser, each set of assays is a complete report with a query form, a view form, and a table view, combining the convenience of a ChemFinder or ISIS application with the power and flexibility of a data catalog-driven mining program. ChemDraw for Spotfire ChemDraw for Spotfire is a powerful add-in for the Spotfire DecisionSite software. Spotfire makes industry standard applications for high-dimensional visual data analysis, and is used to explore large biological datasets. ChemDraw for Spotfire adds chemistry to DecisionSite, providing structure visualization and searching services. Highlight a spot in Spotfire’s DecisionSite, and a structure is displayed directly in the window. If you draw a structure and click Search, the matching records are displayed right in the Spotfire window. The structures are retrieved from a chemical database such as Registration System, ChemFinder, or Oracle Cartridge, and are returned directly over the network. In this way, structures can be linked by registry number, CAS number, or EMAIL info@cambridgesoft.com WWW www.cambridgesoft.com TEL 1 800 315–7300 INT’L 1 617 588–9300 FAX 1 617 588–9390 MAIL CambridgeSoft Corporation 100 CambridgePark Drive Cambridge, MA 02140 USA ChemOffice, ChemDraw, Chem3D, ChemFinder & ChemInfo are trademarks of CambridgeSoft ©2002. All other trademarks are the property of their respective holders. All specifications subject to change without notice.
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ChemOffice.Com ® ChemOffice ® Che
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Registering your CS Product Please
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CS ChemFinder 8.0 for Windows User
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CambridgeSoft Software License 1. G
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No Waiver. The failure of either pa
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The failure of either party to asse
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Contents Introduction . . . . . . .
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Molecular Formula Searching . . . .
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Introduction About ChemFinder ChemF
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For information about … ChemDraw
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Chapter 1: ChemFinder Basics ChemFi
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A collection of records is a table.
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Formula queries can include ranges
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Screen Element Description Current
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The ChemFinder dialog box enables y
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The Relational database dialog box
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17. To make changes, click Back unt
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Chapter 2: Tutorials Overview The t
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3. From the Search menu, choose Fin
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Text Searching In this exercise, yo
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2. In the Samples directory, select
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For example, to search for reaction
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3. In the Box Text or Label dialog
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Tutorial 4: Opening a Database Afte
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Congratulations! You have created y
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Before you begin to add structures,
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Your form should appear similar to
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Chapter 3: Creating and Editing For
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Opening a Secured MS Access Databas
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If you want the boxes to be labeled
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To draw a Data Box: 1. Click the Da
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3. Type the text you want to displa
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• Rich Text—displays styled dat
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Adding a Data Box Menu You can add
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3. Click OK to commit the changes.
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To create tabs on a form: 1. Right-
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To reverse or restore changes: •
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6. In the Form style section, selec
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If you want users to Then click use
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If you want users to be able to del
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Chapter 4: Working with Data Overvi
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2. Type your username, password, an
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The Save As dialog box appears. 3.
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the Paradox is not installed, you m
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Structure field—Consists of four
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29.From the Type drop-down list, ch
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To add a structure: 1. Right-click
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Sorting Languages Other Than Englis
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that have chemical meaning. ChemFin
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Chapter 5: Searching Overview ChemF
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You can also find specific atom or
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Dates are always displayed accordin
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the hit portion of each molecule is
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Unlike exact searches, similarity s
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example, only the bold bond below (
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This finds any reactions containing
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• Union with current list—displ
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ange. Multi-valent R (and A) atoms
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Tables To display the Page Setup fo
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Chapter 6: Relational Data and Subf
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To link the field to the subform: 1
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2. In the Table script box, type th
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Chapter 7: Importing and Exporting
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2. From the Files of type menu, cho
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processes it according to one of th
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enough to hold any text you might a
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8. Select the position and click OK
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Chapter 8: Customizing ChemFinder O
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Framing Pictures To select whether
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2. Click the Search Details tab. Th
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center hits” is set to Same, a qu
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To return a toolbar to the default
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To rerun a previously entered comma
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difficult, but can usually be worke
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For more information about these ac
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Chapter 9: Accessing the CambridgeS
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You can search ChemStore.Com for ch
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The CS ChemOffice SDK page opens in
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Appendix A: Structural Query Featur
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Isotopes Isotopic labels specified
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finds any of: does NOT find any of:
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HO O Implicit Hydrogens Cl This ato
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Appendix B: Formula Input Rules Ove
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Appendix C: Similarity Rules Overvi
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Appendix D: CAL Commands Overview C
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DBOX 20 20 290 50 formula TEXT 100
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DOS erase junkfile.dat EXEC notepad
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Page 181 and 182: Index - operator (in queries) 86 Sy
Page 183 and 184: Communicating with other applicatio
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Page 189 and 190: Identity 90 implicit AND between fi
Page 191 and 192: Setting preferences 119 Shortcut me
Page 193 and 194: Desktop Software Enterprise Solutio
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Page 197 and 198: Desktop to Enterprise Solutions Che
Page 199 and 200: SOFTWARE E-Notebook Ultra Ultimate
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Page 205 and 206: SOFTWARE ChemFinder/Word • Search
Page 207 and 208: SOFTWARE The Merck Index • Encycl
Page 209 and 210: SOLUTIONS •Development and deploy
Page 211 and 212: SOLUTIONS •Adds chemical data typ
Page 213 and 214: MANAGEMENT •Custom organization o
Page 215 and 216: MANAGEMENT • Indexes chemical str
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Page 219 and 220: DISCOVERY • Accessed through your
Page 221 and 222: DISCOVERY • Integrated with Regis
Page 223 and 224: DISCOVERY • Reagent lists can be
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Page 229 and 230: DATABASES • Fully structure-searc
Page 231 and 232: DATABASES • Encyclopedic referenc
Page 233 and 234: DATABASES • Extensive collection
Page 235 and 236: SERVICES · Business Case Developme
Page 237 and 238: ChemOffice.Com ® CS ChemFinder ®
Page 239 and 240: Display the first record in the ope
Page 241 and 242: ✁ Please cut here or photocopy pa
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