rcdk (3.3.8)

1 user

Interface to the CDK Libraries.

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

Allows the user to access functionality in the CDK, a Java framework for chemoinformatics. 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.

Maintainer: Zachary Charlop-Powers
Author(s): Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre]

License: LGPL

Uses: fingerprint, iterators, itertools, png, rcdklibs, rJava, RUnit, xtable
Reverse depends: iqspr
Reverse suggests: webchem

Released 7 months ago.


27 previous versions

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