Random models and analyses for chemical graphs

DOI10.1142/S0129054115500161zbMATH Open1326.92076OpenAlexW2121142598MaRDI QIDQ5261612FDOQ5261612

Tina M. Kouri, Daniel Pascua, Dinesh Mehta

Publication date: 6 July 2015

Published in: International Journal of Foundations of Computer Science (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1142/s0129054115500161

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zbMATH Keywords

algorithmsdatagraph isomorphismrandom graphscanonical labelingcheminformatics

Mathematics Subject Classification ID

Random graphs (graph-theoretic aspects) (05C80) Graph algorithms (graph-theoretic aspects) (05C85) Data structures (68P05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• Emergence of Scaling in Random Networks
• Improved random graph isomorphism
• Random Graph Isomorphism
• Isomorphism of graphs of bounded valence can be tested in polynomial time
• A V log V algorithm for isomorphism of triconnected planar graphs
• Randomly Sampling Molecules
• Automated reaction mapping
• Faster reaction mapping through improved naming techniques

Cited In (3)

• Title not available (Why is that?)
• Logic Programming with Graph Automorphism: Integratingnautywith Prolog (Tool Description)
• Randomly Sampling Molecules

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