| Introduction |
This section gives an overview of the following for use in Explore by Chemical Substance or Reaction:
- Retrieval possibilities using substructure searching
- Structure drawing precision tools
- Structure evaluation tools
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| Definition |
Substructure searching refers to the capability to use a structure as a search term and locate chemical structures containing that structural skeleton.
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| Retrieval possibilities |
With substructure searching, you can retrieve structure matches such as:
- Exact matches, including stereoisomers, radiolabeled matches, and charged matches
- Matches of the structural skeleton, with substitution at open positions
- Matches of the structural skeleton, with the skeleton embedded within a larger ring system
- Closely related matches resulting from hydrogen migration and double-bond rearrangement, e.g., tautomers
- Closely related matches resulting from charge migration, e.g., zwitterions
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| Structure precision drawing tools |
Tools are available to control substructure retrieval.
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When you want to control |
Use this tool |
| Substitution |
Lock tool |
| Ring formation |
Lock Out Rings tool  |
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Retrieval of:
- Isotopes
- Mixtures
- Polymers
- Metal-containing substances
- Incompletely described substances
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Preferences (Explore tab)  |
A decision chart summarizes applications of these drawing tools.
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| Structure evaluation tools |
The Preview tool is used prior to a substructure search to evaluate a representative sample of answers. |
Updated 3/23/2007 8:49:10 AM