Canonization, Morgan algorithm, equivalence classes [electronic resource] / Markus Meringer.
Material type:
FilmSeries: Henry Stewart talksBiomedical & life sciences collection. Introduction to Cheminformatics: Publisher: London : Henry Stewart Talks, 2011Description: 1 online resource (1 streaming video file (36 min.) : color, sound)Subject(s): Cheminformatics | Computer algorithms | Algorithms | Chemistry | InformaticsOnline resources: Click here to access online | Series Animated audio-visual presentation with synchronized narration.
Title from title frames.
Contents: Introduction: Why canonization? -- Basic definitions: permutation, symmetric group, automorphism -- Applications and implementations of canonizers -- Morgan Algorithm -- General strategies: initial classification, iterative refinement, labeling by backtracking, pruning the backtrack tree, profiting from symmetry -- Symmetrically equivalent atoms -- Outlook: equivalence classes of molecular graphs.
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Mode of access: World Wide Web.