Using Chemical Groups and Substructure Templates

Adding a Chemical Group to an Existing Atom

Changing an Atom to a Chemical Group

Expanding a Chemical Group

Accessing Standard Substructure Templates

Saving and Using Customised Templates

 

Substructure drawing can be made easier by using chemical groups and templates, both of which are pre-drawn substructural fragments. Chemical groups are substituents such as -CF3 which have a specific point by which they must be attached to the rest of a query substructure, e.g.

Templates are complete, stand-alone substructural fragments, e.g.

It is possible to:

 

•	Add a chemical group to an existing substructure.

•	Replace a terminal atom in an existing substructure by a chemical group.

•	Expand a chemical group so that all its atoms and bonds are shown in full, e.g.

•	Access and add to the drawing area a standard templates, i.e. one of a set of templates supplied with ConQuest (see Accessing Standard Substructure Templates).

•	Access and add to the drawing area a customised template, which you have drawn previously and saved for future use (see Saving and Using Customised Templates).