Meringer, Markus,
Canonization, Morgan algorithm, equivalence classes [electronic resource] / Markus Meringer. - London : Henry Stewart Talks, 2011. - 1 online resource (1 streaming video file (36 min.) : color, sound). - Introduction to Cheminformatics : data management, manipulation and properties, 2056-452X . - Henry Stewart talks. Biomedical & life sciences collection. Introduction to Cheminformatics. .
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.
Access restricted to subscribers.
Mode of access: World Wide Web.
2921 Henry Stewart Talks
Cheminformatics.
Computer algorithms.
Algorithms.
Chemistry.
Informatics.
Canonization, Morgan algorithm, equivalence classes [electronic resource] / Markus Meringer. - London : Henry Stewart Talks, 2011. - 1 online resource (1 streaming video file (36 min.) : color, sound). - Introduction to Cheminformatics : data management, manipulation and properties, 2056-452X . - Henry Stewart talks. Biomedical & life sciences collection. Introduction to Cheminformatics. .
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.
Access restricted to subscribers.
Mode of access: World Wide Web.
2921 Henry Stewart Talks
Cheminformatics.
Computer algorithms.
Algorithms.
Chemistry.
Informatics.