SciFinder - How to Analyze Substance Answer Sets


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How to... Analyze Substance Answer Sets

Analyze is one of the many SciFinder tools that allow you to explore, evaluate, and review your substance answer sets. Analyzing helps you get different views of your answer set based on, for example, ring skeletons, stereochemistry, or the presence of particular atoms or variables.

When substances are displayed in your main SciFinder window, click the Analyze/Refine button. Then click Analyze.

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Select an option for analyzing your answer set. Click OK.

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Tips

You may analyze (and/or refine) by one or more of the options sequentially.

Select this option...	To...
Real-atom attachments (requires SSM)	See a breakdown of the atoms that attach at a particular location within the chemical structure common to you answer set.
Variable Group Composition (requires SSM)	See a breakdown of the atoms that occur within the answer set for a particular variable group. Note: A variable group must be included in the query structure for this option to be active.
R-group Composition (requires SSM)	See a breakdown of the atoms that occur within the answer set for a particular R-group.
Precision	Divide your answer set based on how closely the chemical structures match your query structure. Note: You may set your preferences to automatically analyze your answers by precision.
Ring skeletons	Create subsets with similar ring skeletons, atoms, or bonds. Explore substances based on ring templates. Discover ring systems that include one or more atoms from the query structure.
Stereo (requires SSM)	Subdivide you answer set based on how closely the stereochemistry matches your query structure. Select the desired level of specificity of stereochemistry within your answer set.

For example, select Ring skeletons to divide the answers based on structural characteristics. Click OK.

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SciFinder presents the subsets. Choose the ring, atom, and/or bond characteristics of interest to retrieve only those substances. Click Get Substances.

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Tips

To display the query structure side-by-side with your analysis, open the Task History.
Select Tools > Task History or click

history button .

Review your answers.

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Working with substances...

		See details about a substance.

		Retrieve references, 3D models, chemical suppliers, regulated chemicals lists, or reactions* for specific substances.

		Retrieve references for selected answers or the entire answer set.

		Retrieve reactions for selected answers or the entire answer set.*

		Analyze or Refine your answers.

*Available for SciFinder subscription and SciFinder Scholar users only.

Updated: 4/14/2009 11:48:06 AM