Graphical encoding

The additional stereoinformation has to be derived from the graphical representation and encoded into stereodescriptors, as described above. The stereodescriptors are then stored in corresponding fields of the connection table (Figure 2-76) [50, 51]. 

Because the chemical structure of a molecule encodes its biological properties, structure has long served as the primary variable and determinant for the discovery of new drugs by medicinal chemists. For this reason, systematic structural modification has been the primary tool of choice to isolate and enhance a desired biologic activity. Moreover, with the relatively recent development of in vitro receptor-binding assays, combinatorial methods of chemical synthesis, and computer graphics, the overall approach to structural modification has become increasingly sophisticated. 

ReGIS is the protocol for the currently available DEC graphics terminals. It differs from the bit encode scheme of the 4010 and 4014 devices as well as the... 

Fig. 1. Position-specific scoring matrix model representation. The information contained in a set of aligned target sites (A) is initially encoded into a count matrix (B) in which each column represents the number of sequences that contain each of the four bases in that position. For practical purposes, the count matrix is further transformed into some form of log-frequency matrix (C). Any of the three forms of information can be graphically represented as a LOGO of symbols (D).

All of the search functionality described above can be accessed in CSD Version 4 via an integrated set of interactive, graphical menus. These cover the numerical, text, unit-cell and bit-screen searches but were chiefly designed to simplify the encoding... 

Symington, J., Green, M. and Brack-mann, K. (1981) Immunoautoradio-graphic detection of proteins after electrophoretic transfer from gels to diazo-paper analysis of adenovirus encoded proteins. Proc. Natl Acad. Sci. U.S.A., 78, 177-181. 

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