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An introduction of chemical structure coding in the X-ray Powder Diffraction File
Published online by Cambridge University Press: 10 January 2013
Abstract
A special computer storage method for chemical structures is illustrated in this article. With an improved method of two-dimensional connection table and topology, we can fit almost all chemical structures and display them very conveniently. We have used this method in the PDF (X-Ray Powder Diffraction File) database, which contains many special structures.
Key words: database, computer application, chemical structure
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- Copyright © Cambridge University Press 2000