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- Molecular_graph abstract "In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds. For particular purposes any of the labelings may be ignored.A hydrogen-depleted molecular graph or hydrogen-suppressed molecular graph is the molecular graph with hydrogen vertices deleted.Molecular graphs can distinguish between structural isomers, compounds which have the same molecular formula but non-isomorphic graphs - such as isopentane and neopentane. On the other hand, the molecular graph normally does not contain any information about the three-dimensional arrangement of the bonds, and therefore cannot distinguish between conformational isomers (such as cis and trans 2-butene) or stereoisomers (such as D- and L-glyceraldehyde).In some important cases (topological index calculation etc.) the following classical definition is sufficient: molecular graph is connected undirected graph one-to-one corresponded to structural formula of chemical compound so that vertices of the graph correspond to atoms of the molecule and edges of the graph correspond to chemical bonds between these atoms. One variant is to represent materials as infinite Euclidean graphs, in particular, crystals as periodic graphs.".
- Molecular_graph wikiPageID "14240178".
- Molecular_graph wikiPageLength "4400".
- Molecular_graph wikiPageOutDegree "30".
- Molecular_graph wikiPageRevisionID "702639284".
- Molecular_graph wikiPageWikiLink 2-Butene.
- Molecular_graph wikiPageWikiLink Arthur_Cayley.
- Molecular_graph wikiPageWikiLink Category:Application-specific_graphs.
- Molecular_graph wikiPageWikiLink Category:Cheminformatics.
- Molecular_graph wikiPageWikiLink Category:Mathematical_chemistry.
- Molecular_graph wikiPageWikiLink Category:Theoretical_chemistry.
- Molecular_graph wikiPageWikiLink Chemical_bond.
- Molecular_graph wikiPageWikiLink Chemical_compound.
- Molecular_graph wikiPageWikiLink Chemical_graph_theory.
- Molecular_graph wikiPageWikiLink Conformational_isomerism.
- Molecular_graph wikiPageWikiLink Geometric_graph_theory.
- Molecular_graph wikiPageWikiLink Glyceraldehyde.
- Molecular_graph wikiPageWikiLink Graph_(discrete_mathematics).
- Molecular_graph wikiPageWikiLink Graph_isomorphism.
- Molecular_graph wikiPageWikiLink Graph_labeling.
- Molecular_graph wikiPageWikiLink Graph_theory.
- Molecular_graph wikiPageWikiLink Gravity.
- Molecular_graph wikiPageWikiLink Hydrogen.
- Molecular_graph wikiPageWikiLink Isaac_Newton.
- Molecular_graph wikiPageWikiLink Isomer.
- Molecular_graph wikiPageWikiLink Isopentane.
- Molecular_graph wikiPageWikiLink Mathematical_chemistry.
- Molecular_graph wikiPageWikiLink Neopentane.
- Molecular_graph wikiPageWikiLink Periodic_graph_(crystallography).
- Molecular_graph wikiPageWikiLink Stereoisomerism.
- Molecular_graph wikiPageWikiLink Structural_formula.
- Molecular_graph wikiPageWikiLink Structural_isomer.
- Molecular_graph wikiPageWikiLink Topological_index.
- Molecular_graph wikiPageWikiLink William_Cullen.
- Molecular_graph wikiPageWikiLink William_Higgins_(chemist).
- Molecular_graph wikiPageWikiLinkText "Molecular graph".
- Molecular_graph wikiPageWikiLinkText "Molecular graph#History".
- Molecular_graph wikiPageWikiLinkText "molecular graph".
- Molecular_graph subject Category:Application-specific_graphs.
- Molecular_graph subject Category:Cheminformatics.
- Molecular_graph subject Category:Mathematical_chemistry.
- Molecular_graph subject Category:Theoretical_chemistry.
- Molecular_graph hypernym Representation.
- Molecular_graph type Cheminformatic.
- Molecular_graph type Field.
- Molecular_graph type Graph.
- Molecular_graph comment "In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory. A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds.".
- Molecular_graph label "Molecular graph".
- Molecular_graph sameAs Q1986794.
- Molecular_graph sameAs Grafo_molecolare.
- Molecular_graph sameAs m.03cyv4f.
- Molecular_graph sameAs Graf_chimic.
- Molecular_graph sameAs Молекулярный_граф.
- Molecular_graph sameAs Молекулярний_граф.
- Molecular_graph sameAs Q1986794.
- Molecular_graph wasDerivedFrom Molecular_graph?oldid=702639284.
- Molecular_graph isPrimaryTopicOf Molecular_graph.