rcdk (2.8.1)

rcdk - Interface to the CDK Libraries.

http://cran.r-project.org/web/packages/rcdk

This package allows the user to access functionality in the CDK, a Java framework for cheminformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition the CDK API allows the user to view structures in 2D.

Author(s): Rajarshi Guha <rguha@indiana.edu>

License: LGPL

Uses: fingerprint, rJava

Released about 5 years ago.

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