Graphical data structure description

Concepts of visual reality and virtual reality are sometimes confused. Virtual reality is a sophisticated computer description of real-world conditions in the virtual world. It cannot communicate directly with humans because it has been developed for the purpose of communication between computer procedures in the form of data structures. Visual reality is the tool that converts these data structures into graphic or other understandable forms in order to visualize computer descriptions for humans. Concepts and intents originate in humans in visual form visual reality is the tool to translate them into a form understandable by computer procedures. Two-way interactive graphics-based communication is applied. Virtual and visual realities are key techniques for the representation of engineering objects and communication of represented information between humans and procedures in virtual worlds. 

The PHRAN-SPAN natural language interface for system-level specifications, the AGIS graphics interface for directly manipulating the Design Data Structure, the 3DIS data base interface, and the SLIDE hardware description language. 

Solvent extraction Database (SXD) software has been developed by A. Varnek et al.51 Each record of SXD corresponds to one extraction equilibrium and contains 90 fields to store bibliographic information, system descriptions, chemical structures of extractants, and thermodynamic and kinetic data in textual, numerical, and graphical forms. A search can be performed by any field including 2D structure. SXD tools allow the user to compare plots from different records and to select a subset of data according to user-defined constraints (identical metal, content of aqueous or organic phases, etc.). This database, containing about 3,500 records, is available on the INTERNET (http //infochim.u-strasbg.fr/sxd). 

There are three types of capability of major importance in structure determination. Spectrum interpretation is the process by which spectral data are reduced to structural information, which is usually expressed in terms of substructures predicted to be present or absent in the compound under study. Structure generation serves to exhaustively generate all molecular structures compatible with this structural information. Spectrum prediction and comparison are important in evaluating the relative merits of the structures in a set of plausible alternatives. (Suitable methods for the input, representation, storage, manipulation, comparison, and graphic display of chemical structures and spectra may also be necessary components of the computer implementation of these three capabilities, but a description of them is beyond the scope of this article.)... 

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