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rcdk: 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.
Getting started
Browse package contents
Package details |
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| Author | Rajarshi Guha [aut, cph], Zachary Charlop-Powers [cre], Emma Schymanski [ctb] |
| Maintainer | Zachary Charlop-Powers <zach.charlop.powers@gmail.com> |
| License | LGPL |
| Version | 3.8.1 |
| Package repository | View on CRAN |
| Installation |
Install the latest version of this package by entering the following in R:
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Try the rcdk package in your browser
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