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Inchi wrappers for the RDKit

Cao, Yiqun and Landrum, Gregory (2011) Inchi wrappers for the RDKit. RDKit: open source cheminformatics.

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This contribution consists of a C++ and python wrapper around the open-source implementation of IUPAC's INCHI algorithm ( The wrapper allows generation of INCHIs from RDKit molecules.

Item Type: Article
Additional Information: Open-source project details Project Name: RDKit Project URL: Background: RDKit was developed at Rational Discovery LLC by Gregory Landrum, Santosh Putta, and Julie Penzotti and released as an open-source project in May 2006. Several NIBR contributions to the RDKit have already been approved for external release (pre-OAK) and published by incorporation into the RDKit open-source codebase. The software is distributed under the BSD license (, a standard and widely used open-source license.
Date Deposited: 13 Oct 2015 13:15
Last Modified: 13 Oct 2015 13:15