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eactions) available in ChemDraw. For more<br />

information, see Drawing Query Structures in<br />

the ChemDraw User's Manual.<br />

You have a choice of how Inventory will match the<br />

structure you draw to the structures in the<br />

Inventory database. Select the correct type from the<br />

Search Type drop-down menu.<br />

Substructure<br />

Substructure searches find structures that contain<br />

the query, plus any additional attachments at the<br />

open positions. Use this search type to find classes<br />

of compounds.<br />

Search Preferences<br />

You can set a number of defaults that affect how<br />

Inventory performs structure searches.<br />

Desktop/<br />

Workgroup<br />

• Workgroup Click Preferences in the File<br />

menu (or on the Search form.)<br />

Enterprise<br />

• In the Manage Substances Page,<br />

click File on the toolbar, then select<br />

Preferences.<br />

The Search Preferences form appears.<br />

Exact<br />

Exact searches find structures that completely<br />

match the query. You may get more than one hit if<br />

there are stereo-isomers in the inventory and you<br />

did not specify a particular one to be matched, or if<br />

you included a generic atom type.<br />

Identity<br />

The Identity search type is intended for use in<br />

compound registration, when you must know if a<br />

perfectly identical copy of your query compound is<br />

already present in the database. It is similar to an<br />

exact search, except that generic atom and bond<br />

types in the query must match corresponding atom<br />

and bond types in the target exactly. Moreover,<br />

stereochemistry must match precisely between<br />

query and target.<br />

Similarity<br />

A Similarity search finds structures that have<br />

structural features that generally correspond to<br />

those in the query. Similarity searches are, by their<br />

nature, “fuzzy”. For this reason, similarity searches<br />

are useful if you have a general idea of the types of<br />

compounds you are looking for, but don’t have a<br />

precise conception of the target compound.<br />

How to search:<br />

1. Enter the search criteria.<br />

2. Select the Search Sublocations checkbox if you<br />

want to search all sublocations of the chosen<br />

location.<br />

Enterprise<br />

3. Select the Exclude Special<br />

Locations checkbox if you want to exclude<br />

special locations.<br />

Enterprise<br />

4. Select the Group results by<br />

chemical structure checkbox if you want results<br />

grouped by chemical structure.<br />

5. Click Search.<br />

<strong>ChemOffice</strong> Enterprise Workgroup & Databases 2005 Inventory • 71<br />

Searching Inventory

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