Difference between revisions of "Ring detection"

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Extensive reviews about ring detection algorithms can be found in the work of Lynch et al. [dghl89], Gleiss [gle01], and Downs [dow03].
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Extensive reviews about ring detection algorithms can be found in the work of Lynch et al. ([[Article:dghl89]]), Gleiss ([[PhdThesis:gle01]]), and Downs ([[Article:dow03]]).
  
One of the most often used ring sets in Cheminformatics application is the Smallest Set of Smallest Rings (SSSR) [fig96]. This algorithms is a combination of the breadth first search (BFS) of Balducci [bp94] and the node elimination procedure of Doucet [fpdb93].
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One of the most often used ring sets in Cheminformatics application is the Smallest Set of Smallest Rings (SSSR) ([[Article:fig96]]). This algorithms is a combination of the breadth first search (BFS) of Balducci ([[Article:bp94]]) and the node elimination procedure of Doucet ([[Article:fpdb93]]).
 
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== References ==
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@Article{bp94,
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  author = {R. Balducci and R. S. Pearlman},
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  title = {{E}fficient {E}xact {S}olution of the {R}ing {P}erception {P}roblem},
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  journal = {J. Chem. Inf. Comput. Sci.},
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  year = {1994},
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  volume = {34},
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  pages = {822-831},
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}
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@Article{dghl89a,
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  author = {G. M. Downs and V. J. Gillet and J. D. Holliday and M. F. Lynch},
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  title = {{R}eview of {R}ing {P}erception {A}lgorithms for {C}hemical {G}raphs},
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  journal = {J. Chem. Inf. Comput. Sci.},
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  year = {1989},
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  volume = {29},
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  pages = {172-187},
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}
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@Article{dghl89b,
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  author = {G. M. Downs and V. J. Gillet and J. D. Holliday and M. F. Lynch},
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  title = {{T}heoretical {A}spects of {R}ing {P}erception and {D}evelopment
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          of the {E}xtended {S}et of {S}mallest {R}ings {C}oncept},
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  journal = {J. Chem. Inf. Comput. Sci.},
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  year = {1989},
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  volume = {29},
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  pages = {187-206},
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  abstract = {There are many unresolved issues concerning the definition of an optimum
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              ring set for retrieval purposes. This paper considers the problems
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              associated with processing planar (two-dimensional) representations
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              of three-dimensional structures. To overcome the ambiguity of such
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              representations, a new ring set is defined in terms of simple faces
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              and cut faces. The concept of a cut-vertex graph is introduced to
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              explain the combinatorial relationship between the number of simple
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              faces and the number of planar embedments.},
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}
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@PhdThesis{gle01,
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  author = {P. M. Gleiss},
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  title = {{S}hort {C}ycles -- {M}inimum {C}ycle {B}ases of {G}raphs from {C}hemistry
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          and {B}iochemistry},
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  school = {University of Wien},
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  year = {2001},
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  address = {Wien},
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}
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@InProceedings{dow03,
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  author = {G. M. Downs},
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  title = {{R}ing {P}erception},
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  booktitle = {{H}andbook of {C}hemoinformatics},
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  year = {2003},
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  editor = {J. Gasteiger},
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  volume = {1},
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  pages = {161--177},
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  address = {Weinheim, Germany},
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  publisher = {Wiley--VCH},
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  chapter = {II.5.2},
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  isbn = {3--527--30680--3},
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}
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@Article{fig96,
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  author = {J. Figueras},
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  title = {{R}ing {P}erception {U}sing {B}readth--{F}irst {S}earch},
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  journal = {J. Chem. Inf. Comput. Sci.},
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  year = {1996},
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  volume = {36},
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  pages = {986-991},
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  abstract = {Combining breadth-first search with new ideas for uncovering embedded
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              rings in complex systems 1 yields a very fast routine for ring perception.
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              With large structures, the new routine is orders of magnitude faster
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              than depth-first ring detection, a result expected on the basis
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              of recent work that establishes polynomial order for BFS.2},
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  contents = {Smallest Set of Smallest Ring (SSSR), Bread First Search (BFS), Binary
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              Edge Encoded Path (BEEP), message passing algorithm},
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  topics = {Smallest Set of Smallest Ring (SSSR), Bread First Search (BFS), Binary
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              Edge Encoded Path (BEEP), message passing algorithm},
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}
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@Article{fpdb93,
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  author = {B. T. Fan and A. Panaye and J.-P. Doucet and A. Barbu},
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  title = {{R}ing {P}erception. {A} {N}ew {A}lgorithm for {D}irectly {F}inding
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          the {S}mallest {S}et of {S}mallest {R}ings from a {C}onnection {T}able},
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  journal = {J. Chem. Inf. Comput. Sci.},
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  year = {1993},
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  volume = {33},
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  pages = {657-662},
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}
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Revision as of 11:46, 4 March 2006

Extensive reviews about ring detection algorithms can be found in the work of Lynch et al. (Article:dghl89), Gleiss (PhdThesis:gle01), and Downs (Article:dow03).

One of the most often used ring sets in Cheminformatics application is the Smallest Set of Smallest Rings (SSSR) (Article:fig96). This algorithms is a combination of the breadth first search (BFS) of Balducci (Article:bp94) and the node elimination procedure of Doucet (Article:fpdb93).