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Introduction
Allen, F. H., Barnard, J. M., Cook, A. P. F. and Hall, S. R.  International Tables for Crystallography (2006). Vol. G, Section 2.4.1, p. 44 [ doi:10.1107/97809553602060000730 ]
... chemical structures. Such information, now available for some 400000 compounds (Allen & Glusker, 2002) is, of course, vitally important in chemistry and ... universal formalism through which chemists communicate with each other on a daily basis and document their results. In common with scientists ... the modern chemist. Computationally, the 2D diagram is treated as a mathematical graph (Harary, 1972). The nodes of the ...

Molecular Information File dictionary (MIF)
Allen, F. H., Barnard, J. M., Cook, A. P. F. and Hall, S. R.  International Tables for Crystallography (2006). Vol. G, ch. 4.8, pp. 467-470 [ doi:10.1107/97809553602060000748 ]
Molecular Information File dictionary (MIF) This is version 1.2.3 of the Molecular Information File dictionary (MIF). MIF complements the Crystallographic Information File with data items describing two-dimensional chemical structure diagrams and bond types. The MIF format is described in Chapter 2.4. International Tables for Crystallography Molecular Information File dictionary ...

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