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Rings Perception

In this section only three of the various ring perception algorithms are introduced. The initial approaches are  [Pg.54]


Ring perception and equivalence of atoms and bonds are also very important tasks in for processing chemical compounds. [Pg.160]

Ring strain energies30) and aromatic delocalization energies must also be parameterized and calculated. This is handled automatically in EROS and makes use of the ring perception routine mentioned earlier15). [Pg.42]

R. Balducci, R. S. Pearlman. Efficient exact solution of the ring perception problem. /. Chem. Inf. Comput. Sci., 34, 822-831, 1994. [Pg.149]

B.T. Fan, A. Panaye, J.P. Doucet, A. Barbu. Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection table. [Pg.149]

Hanser, T, Jauffret, P. and Kaufmann, G. (19%). A New Algorithm for Exhaustive Ring Perception in a Molecular Graph. J.Chem.Inf.ComputScL, 36,1146-1152. [Pg.582]

Downs, G.M. (2003) Ring perception, in Handbook of Chemoinformatics, Vol. 1 (ed. J. Gasteiger), WUey-VCH Verlag GmbH, Weinheim, Germany, pp. 161-177. [Pg.1026]

The review of existing ring perception algorithms under the following seven categories showed the following characteristics ... [Pg.162]

The ring system identification currently implemented in AUTONOM is a two-step process initiated by the ring system perception. The reliability of the ring perception routine is the crux of the naming algorithm. [Pg.57]

Ring perception is one of those background tasks mainly of interest to programmers and system designers. Users rarely give the matter a second thought, until unexpected results or annoying limitations are revealed. [Pg.207]

Ring perception is a routine task, a utihty to provide a description of cyclic pa of a structure in such a way as to complement other topologicad anadyses, such fragmentation, functional group detection, and topological indices. [Pg.208]

Ring perception is thus an important component in a wide range of applicatu requiring structurad analysis. The task is to perceive the most appropriate set rings for the particular appUcation in an efficient and consistent manner. For t it is necessary first to classify rings in some way so that comparisons a appropriate selections can be made. [Pg.208]

An extensive review of ring perception algorithms has been pubhshed. This section summarises a few points that make life easier when implementing an algorithm to find a particular ring set, and outlines some of the more general issues. [Pg.217]

In conclusion it can be stated simply that no ring set solves all the issues and problems mentioned in this paper for some it is just the start of further problems However, the ability to differentiate ring types based on the classification outlined here will enable implementors of ring perception routines to categorise and choose a particular desired set of rings, and assess the consequences and potential inconsistencies associated with that choice. With reference to the introduction a start has been made to the necessary developments in language and graph theory. [Pg.219]

Downs G.M. Gillet V.J. Holliday J.D. Lynch M.F. Theoretical aspects of ring perception, and development of the Extended Set of Smallest Rings (ESSR) concept . J. Chem. Inf. Comput. Sci. 1989,29, 187-206. [Pg.219]


See other pages where Rings Perception is mentioned: [Pg.53]    [Pg.53]    [Pg.164]    [Pg.146]    [Pg.25]    [Pg.134]    [Pg.149]    [Pg.149]    [Pg.149]    [Pg.107]    [Pg.657]    [Pg.1026]    [Pg.1062]    [Pg.12]    [Pg.160]    [Pg.162]    [Pg.278]    [Pg.8]    [Pg.191]    [Pg.396]    [Pg.58]    [Pg.59]    [Pg.103]    [Pg.207]    [Pg.207]    [Pg.208]    [Pg.213]    [Pg.217]   
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See also in sourсe #XX -- [ Pg.4 ]




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