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.
Version: 3.8.1 Depends: rcdklibs (≥ 2.8) Imports: fingerprint, rJava, methods, png, iterators, itertools Suggests: xtable, RUnit, knitr, rmarkdown, devtools Published: 2023-07-01 DOI: 10.32614/CRAN.package.rcdk Author: Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb] Maintainer: Zachary Charlop-Powers <zach.charlop.powers at gmail.com> License: LGPL-2 | LGPL-2.1 | LGPL-3 [expanded from: LGPL] NeedsCompilation: no SystemRequirements: Java (>= 8) Citation: rcdk citation info Materials: NEWS ChangeLog In views: ChemPhys CRAN checks: rcdk results Documentation: Downloads: Reverse dependencies: Linking:Please use the canonical form https://CRAN.R-project.org/package=rcdk to link to this page.
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