Structures Management Software Information

Most corporate databases of chemical compounds (libraries) are of the 2D type. The databases are managed using software that allows fast registration of new structures, fast retrieval of previously stored compounds, and fast substructure searching. (For more information about chemical database management software, see www.mdl.com or www.daylight.com.)... 

COSMIC software NASA s software catalog, via the University of Georgia, Computer Software Management and Information Center. It has over 1,300 programs, including programs on management procedures, thermodynamics, structural mechanics, heat transfer, fluid flow, and so on. See computer software. 

On the one hand, the genesis of detailed techniques to control the visibility, complexity, size and structure of software has been firmed rooted in the intellectual tradition of programming as a mathematical science [Dsihl et al.72, Dijkstra69]. An assumption of this tradition is that if software design is properly informed by mathematics, then software will become more translucent, reliable and robust, and its management commensurately easier. In this conception, the science comes first and the benefits, whether commercial or managerial, follow. On the other hand, for most... 

Finally, for routine applications, our software provides a database management system called BASIS for storage and manipulation of chemical information. BASIS can access generally available spectral libraries from three different spectroscopic techniques (MS, H-NMR and F13C-NMR, IR), and permits the creation of new libraries. For structure elucidation and substructure search of unknown compounds, library search algorithms allow the retrieval of identical and structurally similar spectra. 

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