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.
|Author||Rajarshi Guha <[email protected]>|
|Maintainer||Rajarshi Guha <[email protected]>|
|License||GPL (>= 2)|
|Package repository||View on GitHub|
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