Configuration

Several actions can be defined consecutively to transform molecules into canonical forms in Standardizer.

A complete series of Standardizer actions is called configuration:


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Selected actions are executed one-by-one on every chemical structure in the database to create uniform representations.

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Actions can be combined into configuration without any restriction on the number of actions or action order. However, defining the same set of actions in different order may produce different results as the input structure of a given action is produced by the previous actions a molecule has passed.

See also:

Creating a Configuration Standardizer