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Coding the Constitution

HvaluaMon of line notations for representing u chemical structure. [Pg.30]

ROSUAL simple code, easy to leani fast data exchange format includes stcrcochcmistiy unambiguous no support for coding reactions not unique [Pg.30]

SMILES simplest linear code easy to learn fast data exchange formal supports Markush, slcrcochcmistiy, and reaction coding unambiguous not unique (except Unique SMfl FS) some problems with aromaticity perception [Pg.30]

Chemists have been used to drawing chemical structures for more than a hundred years. Nowadays, structures are not only drawn on papei but they are also available in electronic form on a computer for publications, for presentations, or for the input and outptit with computer programs. For these applications, well-known software such as ISIS/Draw (MDL [31] or ChemWindow (Bio-Rad Sadtier [32]) arc used (see Section 2,12), The structures generated with these programs arc [Pg.30]

Another approach applies graph theory. The analogy between a structure diagram and a topological graph is the basis for the development of graph theoretical algorithms to process chemical structure information [33-35]. [Pg.31]


Tabic 2-6 gives an overview on the most common file formats for chemical structure information and their respective possibilities of representing or coding the constitution, the configuration, i.c., the stereochemistry, and the 3D structure or conformation (see also Sections 2..3 and 2.4). Except for the Z-matrix, all the other file formats in Table 2-6 which are able to code 3D structure information arc using Cartesian coordinates to represent a compound in 3D space. [Pg.94]

Sci. 1989, 29(3), 227-228. p5] O. Ivanciuc, Coding the constitution -Graph Theory in chemistry, in Handbook of Chemoinfbrmatics, J. Gasteiger (Ed.), Wiley-VCH, Weinheim, 2003, Chapter II, Section 4. pq L. Euler, Soluho Problematis ad Geo-metriam Situs Pertinentis, Commen-tarii Academiae Sdentiarum Imperia-lis Petropolitanae 8,1736, pp. 128-140. p7] A. Beck, M. Bleicher, D. Crowe, Excursion into Mathematics, Worth, 1969. [Pg.163]

One of the most widely used - and successful representations of the constitution, the topology, of a molecule is the HOSE code (Hierarchical Ordered description of the Substructure Environment) [9]. It is an atom-centered code taking into account... [Pg.516]

Pressure-Piping Code The code for pressure piping (ANSI B31) consists or a number of sections which collectively constitute the code. Table 10-14 shows the status of the B31 code as of December 1980. The sections are published as separate documents for simplicity and convenience. The sections differ extensively. [Pg.945]

Notice that those distribution functions that satisfy Eq. (4-179) still constitute a convex set, so that optimization of the E,R curve is still straightforward by numerical methods. It is to be observed that the choice of an F(x) satisfying a constraint such as Eq. (4-179) defines an ensemble of codes the individual codes in the ensemble will not necessarily satisfy the constraint. This is unimportant practically since each digit of each code word is chosen independently over the ensemble thus it is most unlikely that the average power of a code will differ drastically from the average power of the ensemble. It is possible to combine the central limit theorem and the techniques used in the last two paragraphs of Section 4.7 to show that a code exists for which each code word satisfies... [Pg.242]

All societies have their rules of play their institutions. These institutions can be defined as the restrictions created by humanity to give structure to political, economic and social interaction. A society s institutions are at the same time its rules of play and its safeguard mechanisms. They can be formal, such as the Constitution, laws, property rights and ethical codes, or informal, such as customs, traditions and expected codes of conduct in a professional group. [Pg.169]

Paragraphs 10.4 and 12.2 of the Constitution and Procedure for the Prescription Medicines Code of Practice Authority authorize respectively the Code of Practice Appeal Board and the Board of Management of The Association of the British Pharmaceutical Industry to require an audit of a company s procedures in relation to the Code of Practice for the Pharmaceutical Industry to be carried out by the Prescription Medicines Code of Practice Authority. [Pg.783]

The lower appeals court rejected the argument based on the Ohio Constitution, saying that the ordinance was a valid exercise of the police power. It did agree that part of the law did conflict with the U.S. code. The appellants then appealed to the Ohio Supreme Court. [Pg.74]

Existing structures, facilities, and conditions which, in the opinion of the fire-code official, constitute a distinct hazard to life or property. [Pg.625]

Effective national programmes to control drinking-water quality depend ideally on the existence of adequate legislation, standards and codes. The precise nature of the legislation in each country will depend on national, constitutional and other considerations. Generally, the legislation should outline the responsibility and authority of a number of agencies, describe the relationship between them and establish basic policy principles. [Pg.22]

Mulations in the genes coding for any of the signaling proteins could conceivably result in the constitutive (continual) operation of the signaling pathway and the consequent maintenance of cell growth. [Pg.900]


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