rcdk: Interface to the 'CDK' Libraries
Version 3.4.5

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.

Getting started

Package details

AuthorRajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb]
Date of publication2017-10-31 16:04:12 UTC
MaintainerZachary Charlop-Powers <[email protected]>
LicenseLGPL
Version3.4.5
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("rcdk")

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rcdk documentation built on Nov. 17, 2017, 6:17 a.m.