Reference manual

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install.packages("rcdk")

3.8.2 by Zachary Charlop-Powers, 7 days ago


https://github.com/CDK-R/cdkr


Report a bug at https://github.com/CDK-R/cdkr/issues


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


Authors: Rajarshi Guha [aut, cph] (ORCID: , Zachary Charlop-Powers [cre] (ORCID: , Emma Schymanski [ctb] , Egon Willighagen [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 FastRet, RxnSim, fioRa, pubchem.bio, rQSAR.

Depended on by LipinskiFilters.

Suggested by webchem.


See at CRAN