Applications of the InChI in cheminformatics with the CDK and Bioclipse

BACKGROUND: 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 i...

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Bibliografiske detaljer
Main Authors: Spjuth, Ola, Berg, Arvid, Adams, Samuel, Willighagen, Egon L
Format: Artigo
Sprog:Inglês
Udgivet: BioMed Central 2013
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Software
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3674901/
https://ncbi.nlm.nih.gov/pubmed/23497723
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-5-14
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