rcdk (3.4.3)

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], Emma Schymanski [ctb]

License: LGPL

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

Released about 1 month ago.


28 previous versions

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