CDK-R/rinchi: Generate InChI and InChI Keys from SMILES and Other Chemical File Formats
Generate InChI and InChI keys from SMILES and other chemical file formats. In addition, if the rcdk library is available, CDK AtomContainer objects can be directly passed to the rinchi methods to produce InChI output.
Getting started
Browse package contents
Package details |
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| Author | Rajarshi Guha <rajarshi.guha@gmail.com> |
| Maintainer | Rajarshi Guha <rajarshi.guha@gmail.com> |
| License | LGPL |
| Version | 0.5 |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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