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J Chem Inf Comput Sci. 2003 Nov-Dec;43(6):1733-9.

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

Author information

1
Max-Planck-Institute of Chemical Ecology, Jena, Germany. c.steinbeck@uni-koeln.de

Abstract

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

PMID:
14632418
DOI:
10.1021/ci0341363

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