NMRShiftDB-constructing a free chemical information system with open-source components.

作者: Christoph Steinbeck , Stefan Krause , Stefan Kuhn

DOI: 10.1021/CI0341363

关键词: DatabaseNmr dataInformation systemOpen sourceComputer scienceSoftwareProcess (engineering)

摘要: The process of designing and implementing NMRShiftDB, an open-source, open-content database for chemical structures their NMR data based solely on free software is described. NMRShiftDB available to the community http://www.nmrshiftdb.org. It allows open submission retrieval sets by its user community. content itself freely distributable, allowing establishment a highly mirror system databases in collaborating laboratories.

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