Description Usage Arguments Value Author(s)
This method parses an InChI string in to a CDK IAtomContainer object and thus
requires the rcdk
package to be installed.
1 | parse.inchi(inchis)
|
inchis |
A character vector or list of InChI strings |
A list of IAtomContainer objects in the form of jObjRef
instances. If any InChI strings
are malformed, the corresponding object is NULL
Rajarshi Guha (rajarshi.guha@gmail.com)
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