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Applications of the InChI in cheminformatics with the CDK and Bioclipse
2013
Journal of Cheminformatics
The InChI algorithms are written in C++ and not available as Java library. Integration into software written in Java therefore requires a bridge between C and Java libraries, provided by the Java Native Interface (JNI) technology. Results: We here describe how the InChI library is used in the Bioclipse workbench and the Chemistry Development Kit (CDK) cheminformatics library. To make this possible, a JNI bridge to the InChI library was developed, JNI-InChI, allowing Java software to access the
doi:10.1186/1758-2946-5-14
pmid:23497723
pmcid:PMC3674901
fatcat:ilw6pmpwkncs5kcrftd6vkplqi