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A Guide to CambridgeSoft Manuals And Databases ChemDraw Chemical Structure Drawing Standard ChemOffice Chem3D, ChemFinder ChemOffice Enterprise Solutions Manuals & E-Notebook Includes ChemDraw Chem3D Databases Desktop Applications Software Tips Enterprise Solutions ChemFinder E-Notebook Desktop Inventory Desktop BioAssay Desktop ChemDraw/Excel ChemFinder/Office CombiChem/Excel ChemSAR/Excel MOPAC, MM2 CS Gaussian, GAMESS Interface ChemOffice WebServer Oracle Cartridge E-Notebook Workgroup, Enterprise Document Manager Registration Enterprise Formulations & Mixtures Inventory Workgroup, Enterprise Discovery LIMS BioAssay Workgroup, Enterprise BioSAR Enterprise ChemDraw/Spotfire The Merck Index ChemACX, ChemSCX ChemMSDX ChemINDEX, NCI & AIDS ChemRXN Ashgate Drugs Structure Drawing Tips Searching Tips Importing SD Files
Contents ChemOffice Enterprise Workgroup & Databases . . . . . . . . . . . . . . . . . . . . . . . . . ix About the Manual . . . . . . . . . . . . . . . . . . . . . . . . . .ix Manual Organization . . . . . . . . . . . . . . . . . . . . . . .ix Helpful CambridgeSoft Links . . . . . . . . . . . . . . . .ix Installation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .ix Section I: Knowledge Management . . . 1 Chapter 1: Document Manager . . . . . . . . . .3 Overview. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 Logging In . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 Submitting Documents . . . . . . . . . . . . . . . . . . . . . . 4 Add Document Details. . . . . . . . . . . . . . . . . . . . . 4 Batch Submission . . . . . . . . . . . . . . . . . . . . . . . . . . 4 Recent Activities . . . . . . . . . . . . . . . . . . . . . . . . . . . 5 Searching for Documents . . . . . . . . . . . . . . . . . . . . 5 Performing a Search . . . . . . . . . . . . . . . . . . . . . . . 6 Manage Users and Roles . . . . . . . . . . . . . . . . . . . . 6 Section II: Chemical Informatics . . . . .7 Chapter 2: Registration System . . . . . . . . . .9 Overview. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 Registration System Workflow . . . . . . . . . . . . . . . 9 Chemical Registry Number Assignment . . . . . . . 9 Starting Registration System . . . . . . . . . . . . . . . . . 9 Add to Temporary . . . . . . . . . . . . . . . . . . . . . . . . . 10 Adding a Compound. . . . . . . . . . . . . . . . . . . . . . 10 Adding a Batch/Lot . . . . . . . . . . . . . . . . . . . . . . 11 Registration . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 Searching and Viewing Records in the Temporary Table. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 Registering Records in the Temporary Table . . . 13 Editing Records in the Temporary Table . . . . . 13 Deleting Records in the Temporary Table . . . . 13 Registering a Record . . . . . . . . . . . . . . . . . . . . . . 13 Adding Identifier Information to Records. . . . . 14 Adding Analytics Data to a Record . . . . . . . . . . 15 Query and Reporting. . . . . . . . . . . . . . . . . . . . . . . 16 Searching for Registered Compounds . . . . . . . . 16 Analytics Spreadsheets . . . . . . . . . . . . . . . . . . . . 16 Administration . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17 Managing Tables. . . . . . . . . . . . . . . . . . . . . . . . . .17 Defining Projects . . . . . . . . . . . . . . . . . . . . . . . .17 Defining Sequences . . . . . . . . . . . . . . . . . . . . . .18 Defining Structure Comments . . . . . . . . . . . . . .19 Defining Registration System People . . . . . . . . .20 Defining Salts . . . . . . . . . . . . . . . . . . . . . . . . . .21 Defining Solvates . . . . . . . . . . . . . . . . . . . . . . . .22 Managing Users and Roles. . . . . . . . . . . . . . . . . .23 Defining New Experiments. . . . . . . . . . . . . . . . .23 Managing Analytics Data . . . . . . . . . . . . . . . . . . .23 Defining Result Type . . . . . . . . . . . . . . . . . . . . .24 Defining Experiment Type . . . . . . . . . . . . . . . .24 Defining Parameter Type . . . . . . . . . . . . . . . . . .25 Managing Workgroups. . . . . . . . . . . . . . . . . . . . .25 Importing SDFiles . . . . . . . . . . . . . . . . . . . . . . . . .25 Steps to Import a SDFile . . . . . . . . . . . . . . . . . . .26 Choosing Input and Output Databases. . . . . . . .26 Matching Fields in the Input and Output Databases. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .27 View Matches and Import . . . . . . . . . . . . . . . . . .27 Optional Features . . . . . . . . . . . . . . . . . . . . . . . . . .29 Row Level Security (RLS) . . . . . . . . . . . . . . . . . .29 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .29 The User Interface . . . . . . . . . . . . . . . . . . . . . . .29 How are Projects linked to People . . . . . . . . . . .29 The Unspecified Project . . . . . . . . . . . . . . . . . .29 Duplicate Checking . . . . . . . . . . . . . . . . . . . . . .29 Activating RLS . . . . . . . . . . . . . . . . . . . . . . . . .30 Salt and Solvate Recognition . . . . . . . . . . . . . . . .30 Customizable Fields . . . . . . . . . . . . . . . . . . . . . . .30 Choosing Preferences. . . . . . . . . . . . . . . . . . . . . . .30 Printing . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .30 Logging Off. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .31 Chapter 3: Formulations & Mixtures . . . . 33 Overview . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .33 Registration. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .33 Adding a Structure . . . . . . . . . . . . . . . . . . . . . . . .33 Adding a Product/Substance. . . . . . . . . . . . . . . .34 Adding a Sample . . . . . . . . . . . . . . . . . . . . . . . . .34 Adding Analytics Data . . . . . . . . . . . . . . . . . . . . .34 Query and Reporting . . . . . . . . . . . . . . . . . . . . . . .35 Viewing Details of a Record . . . . . . . . . . . . . . . .35 Marking Records . . . . . . . . . . . . . . . . . . . . . . . . .36 ChemOffice Enterprise Workgroup & Databases 2005 Contents • i
Page 1: ChemOffice.Com ® ChemOffice ® Ent
Page 4 and 5: License Information ChemOffice, Che
Page 6 and 7: · Licensed users of ChemOffice Ent
Page 8 and 9: computer, except as provided below.
Page 10 and 11: Q: IS IT OK TO COPY MY COLLEAGUE’
Page 14 and 15: Administrator Viewing Marked Record
Page 16 and 17: Administrator Formgroup . . . . . .
Page 18 and 19: Administrator Logging Off . . . . .
Page 20 and 21: Administrator viii•Contents Cambr
Page 22 and 23: Administrator x•ChemOffice Enterp
Page 24 and 25: Administrator 2• CambridgeSoft
Page 26 and 27: Administrator Submitting Documents
Page 28 and 29: Performing a Search The Search Resu
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Page 32 and 33: The Registration System log in page
Page 34 and 35: Administrator The Batch Registratio
Page 36 and 37: Administrator change the format of
Page 38 and 39: Administrator To add analytics data
Page 40 and 41: Administrator 2. Take the appropria
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Page 44 and 45: If you want to Then To add a new so
Page 46 and 47: Administrator Defining Result Type
Page 48 and 49: Administrator When an .sdf file is
Page 50 and 51: If you want to Then Administrator I
Page 52 and 53: Administrator Viewing System Duplic
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Page 56 and 57: Adding a Product/Substance Adding a
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Page 60 and 61: Administrator To edit a lab in the
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To edit a status in the Status tabl
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To edit a experiment type in the Ex
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Administrator 44•Formulations & M
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Administrator Location An Inventory
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Administrator • Comments The rema
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Administrator There are two options
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Administrator simplest way to refle
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Administrator The New Substance for
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Administrator Enterprise The option
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Administrator 3. Click the Manage S
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Administrator open abbreviated edit
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Administrator The following window
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Administrator 4. When you have ente
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Administrator Creating Daughter Pla
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Administrator 4. Make the appropria
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Administrator container (left frame
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Administrator A list of containers
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Administrator Amount, Supplier Name
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Administrator • Click the linked
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Administrator Reports Inventory Ult
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Administrator 3. Select the table t
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Administrator Enterprise Analyze Au
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Administrator 84•Inventory Cambri
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Administrator Browsing Search resul
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Administrator Your report appears.
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Administrator The New Action form a
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Administrator Actions and Test are
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Administrator The input values for
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Administrator To retire a User 1. C
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Administrator 98• CambridgeSoft
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• Direct Connection - BioAssay cl
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Administrator To resize the columns
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Administrator Fields contained in t
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Administrator 3. Click Add. 6. Drag
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may contain 2 tables, a plates and
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Administrator table in the above im
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4. Select the template you would li
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If you would like to... Then... c.
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Administrator • Fields which will
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Administrator 7. Select the number
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7. Continue with step 4 in Use a De
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Administrator 3. Enter a name for t
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a. Click Add to add parameters for
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7. Select the type of file you are
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Data Source File Type Description T
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Administrator In order to plot your
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Administrator Equation The Equation
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Administrator Click OK. Graph Optio
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Administrator To define the general
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Administrator BioAssay uses the Che
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Administrator 140•BioAssay Cambri
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Administrator Login to BioSAR Enter
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Administrator Edit Schema Descripti
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Administrator have one primary key,
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To specify a parent column for a fi
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Administrator Selecting Fields in a
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Administrator Display Order of Fiel
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The following warning appears: The
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Administrator To access a query in
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Administrator To generate a report:
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Administrator 2. Enter the appropri
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If you would like to ... Then ... T
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Administrator 164•BioSAR Enterpri
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Administrator To make changes to th
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Feature Description Feature Descrip
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Search Field Action The Results Lis
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Administrator of search is indicate
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Administrator The ChemOffice WebSer
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Administrator hits retrieved for yo
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Administrator 3. Select the Make Pu
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Administrator Restore Option Subtra
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Administrator Setting Your Display
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Administrator Logging Off When you
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Administrator During the installati
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Administrator It is important to re
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Administrator where each parameter
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Administrator Those conversion func
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Administrator • FMFldName • CNT
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Administrator the actual version of
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Administrator ) ) SID_LIST_LISTENER
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Administrator literals n = Len(s) '
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Administrator Set r = c.Execute("SE
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Administrator 1 row created. ID M -
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Administrator Chem3D—A molecular
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Administrator Using The Merck Index
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Administrator The Search Tab allows
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Using Ashgate Drugs Online Click on
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Administrator 216•Ashgate Drugs C
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Administrator Opening ChemACX To op
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Administrator To view a record's en
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Administrator Note: To compare more
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Administrator To export shopping ca
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Administrator Saving Hitlists and E
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Administrator 228•ChemACX Cambrid
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Administrator Using ChemSCX on CD T
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Administrator 232•ChemSCX Cambrid
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Administrator 234•ChemMSDX Cambri
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Administrator GO button at the uppe
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Administrator The reactions in Chem
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Administrator 240•ChemRXN Cambrid
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Administrator 3. AIDS Antiviral Scr
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Administrator 244•AIDS CambridgeS
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Function Name Description Administr
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Administrator For example, the foll
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For example, the following searches
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Administrator The NEAR operator can
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For example, the following searches
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AutoFit On The Change Validity wind
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Administrator 260•BioAssay Action
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Administrator 262•BioAssay Plate
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Administrator 264•Oracle Cartridg
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Cayman Chemical Company Celanese, L
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Marker Gene Technologies, Inc. Mars
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Varsal Instruments, Inc. VIS Farmac
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Administrator 272•ChemSCX Partici
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Administrator 274•ChemSCX Partici
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There are several ways to make anot
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Administrator By default, the field
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Administrator Searching by name For
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4. point 5. click 11.Double-click t
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Administrator Performing a Combined
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Administrator Clearing marked recor
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Administrator Requirements, install
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Administrator vi•Index 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
Page 352 and 353:
CHEMICAL Chemical Databases Referen
Page 354 and 355:
CONSULTING & Consulting & Services
Page 357:
CS Software Problem Report For fast
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