rcdk (3.3.8)

1 user

Interface to the CDK Libraries.


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



  (0 votes)


  (0 votes)

Log in to vote.


No one has written a review of rcdk yet. Want to be the first? Write one now.

Related packages: AnalyzeFMRI, CellularAutomaton, PET, PTAk, TIMP, WilcoxCV, bvls, chemCal, clustvarsel, compositions, drc, drm, elasticnet, fastICA, fmri, homals, kohonen, leaps, lspls, minpack.lm(20 best matches, based on common tags.)

Search for rcdk on google, google scholar, r-help, r-devel.

Visit rcdk on R Graphical Manual.