What's New in Version 2.2

Throughout the API documentation, new classes and methods are indicated with a disclaimer "Since: version 2.2."

Several new classes have been introduced, notably

In addition, a wide variety of plugins are available, including MMFF94 and UFF force fields, SMARTS-based descriptors for filtering data sets, compound descriptors such as the Lipinsky Rule of Five, and chemical transformations.

Optional headers include integration with the Boost Graph Library.

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