scientific article; zbMATH DE number 6863607

MaRDI QIDQ4635992zbMATH OpenFDO

Authors Daniel Pascua, Tina M. Kouri, Dinesh Mehta

Publication date 23 April 2018

zbMATH Keywords

hydrocarbonschemical graphs

Mathematics Subject Classification ID

Applications of graph theory (05C90) Isomorphism problems in graph theory (reconstruction conjecture, etc.) and homomorphisms (subgraph embedding, etc.) (05C60) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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(6)

• Generating molecules with specific properties: acyclic hydrocarbons
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• Random graphic model generation algorithm based on Prüfer code
• Randomly Sampling Molecules

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