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Linear programming canonical system

Vogin et al. [235] have created a program for the computer design of a free radical reaction mechanism in the gas phase, in agreement with the rules formulated in Sect. 2.5.3. An algorithm has been devised to transform by the computer the formula of a compound, written in the linear notation described in Sect. 6.2.1 [182], into a canonical notation. Thus, the system both preserves the flexibility of a simple natural language and gains the sophistication of a canonical notation. [Pg.322]

A different approach to the notation of chemical structures is taken by the SMILES language. It describes a structure with a concise linear notation. SMILES are created and understood by many programs and can be used to represent a chemical structure very compactly. Given a canonical numbering and suitable bonding conventions, SMILES can also be used as a structural index in database systems. [Pg.2732]

See other pages where Linear programming canonical system is mentioned: [Pg.282]    [Pg.77]    [Pg.858]    [Pg.858]    [Pg.6]    [Pg.328]    [Pg.261]    [Pg.175]    [Pg.1622]   
See also in sourсe #XX -- [ Pg.232 ]



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Linear systems

Linearized system

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