An analysis of the redundancy of graph invariants used in chemoinformatics

DOI10.1016/J.DAM.2006.04.002MaRDI QIDQ860409zbMATH OpenOpenAlexFDO

Authors Boris Hollas

Publication date 9 January 2007

Published in Discrete Applied Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.dam.2006.04.002

zbMATH Keywords

correlationmolecular descriptorrandom graphtopological index

Mathematics Subject Classification ID

Random graphs (graph-theoretic aspects) (05C80) Applications of graph theory (05C90) Combinatorial probability (60C05) Graph theory (including graph drawing) in computer science (68R10) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• Investigation of chemical space networks using graph measures and random matrix theory
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