TY  - ADVS
AU  - Meringer,Markus
TI  - Canonization, Morgan algorithm, equivalence classes
T2  - Introduction to Cheminformatics : data management, manipulation and properties,
PY  - 2011///
CY  - London
PB  - Henry Stewart Talks
KW  - Cheminformatics
KW  - Computer algorithms
KW  - Algorithms
KW  - Chemistry
KW  - Informatics
N1  - 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
UR  - https://hstalks.com/bs/2012/
UR  - https://hstalks.com/bs/p/582/
ER  -