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Efficient ring perception for the Chemistry Development Kit
BACKGROUND: The Chemistry Development Kit (CDK) is an open source Java library for manipulating and processing chemical information. A key aspect in handling chemical structures is the determination of the chemical rings. The rings of a structure are used areas including descriptors, stereochemistry...
Autores principales: | May, John W, Steinbeck, Christoph |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3922685/ https://www.ncbi.nlm.nih.gov/pubmed/24479757 http://dx.doi.org/10.1186/1758-2946-6-3 |
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