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

J Chem Inf Comput Sci. Nov-Dec 2003;43(6):1733-9. doi: 10.1021/ci0341363.


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.