Access to the right information
It’s never been easier to find the information you need. Access a wealth of information including organic synthesis, bioactivity, physical property,pharmacology, metabolism/toxicity, patent and chemical sourcing data.Go to www.discoverygate now and begin exploring.
QuickStart
QuickStart
Select database
Select the database you want to search from the Database drop-down menu.A list of database names appears.Make your selection.
A screen with preset fields appropriate for your database selection appears.
Draw a structure
Double-click in the MolStructure (or RxnStructure)box to launch the MDL Draw structure-drawing tool.
Locate a property field
T ype the first few letters of the property field that you are looking for, for example carcinogen . The field will be located and highlighted in the Field Index tree.
Select a property
Double click on any property in the Field Index to add that field to your query.
Find help
Context-sensitive help appears for all features.
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Searching a database
QuickStart
Open existing structure file
Choose File > Open to import an existing structure in .mol, .skc and .smi formats.
Select a tool
A variety of drawing tools are provided.The lasso tool allows you to select all or part of the structure. The ‘all purpose’ drawing tool lets you draw bonds, rings, chains, specify atoms and do other tasks.
Use pre-defined templates
Select ring templates and click in the drawing area to add that ring. Y ou can add a frequently drawn structure by selecting it with the lasso tool and dragging it onto the template bar.
Find Help
Each tool and button has its own tool tip and hints for use.
Transfer structures to query
Once you have drawn your structure or reaction, click Done to transfer it back to the DiscoveryGate query page.
Drawing a structure
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QuickStart
Browsing results in
Compound Index
Results view
View results as structures only (Grid
View), structures and corresponding
databases (Database View), or
structures and properties (Properties
View).
Results list
Original query structure is highlighted
within displayed results. To see results
from one or more than one structure, tick
the Record # box before you click the
property or database you want to view.
See the data
Click the property name(or database
name, depending on your view) to see
the data.
Create report or export data
Export structures and data to an SDfile,
RDfile or tab-delimited file. Create
an HTML report file to include in your
notebook or share with colleagues.
Create a list
Click Create List to save all (or a subset)
of your results to a list in the History tree.
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QuickStart
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History tree
View previous or saved searches and your saved lists in the History tree .All searches are saved for your session.
Browse available data
Available data in the current database is easily accessible via links in the Available Data box. Substance data is displayed by default. Click on the appropriate hyperlinks to expand (or hide) viewable data.
See related information in
other databases
reaction to a book or an article
To see data for structures contained in other indexed databases, click the appropriate Also found in link.
Browsing results from individual databases
QuickStart
See reaction details
From your initial result set, you can view Details about the reaction,including reaction schemes, yield and more. Link from any bibliographic reference to the corresponding full text article or patent.
View full synthesis schemes
Select Synthesize Reactants to create an entire synthesis scheme.Full details are available for synthetic scheme.
Find similar reactions
Use Find Similar Reactions to locate reactions in Broad, Medium,or Narrow classifications, depending on your similarity preferences. All reaction sources on DiscoveryGate,including the Integrated Major Reference Works, and the MDL ®Patent Chemistry Database are classified and interlinked.
Exploring Reactions
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