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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...
Autores principales: | Spjuth, Ola, Berg, Arvid, Adams, Samuel, Willighagen, Egon L |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3674901/ https://www.ncbi.nlm.nih.gov/pubmed/23497723 http://dx.doi.org/10.1186/1758-2946-5-14 |
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