Reference manual

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install.packages("rcdk")

3.8.1 by Zachary Charlop-Powers, a year ago


Browse source code at https://github.com/cran/rcdk


Authors: Rajarshi Guha [aut, cph] , Zachary Charlop-Powers [cre] , Emma Schymanski [ctb]


Documentation:   PDF Manual  


LGPL license


Imports fingerprint, rJava, methods, png, iterators, itertools

Depends on rcdklibs

Suggests xtable, RUnit, knitr, rmarkdown, devtools

System requirements: Java (>= 8)


Imported by RxnSim, rQSAR.

Depended on by LipinskiFilters, MetChem.

Suggested by webchem.


See at CRAN