Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.

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Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules. / Rücker, Gerta; Rücker, Christoph.
In: Journal of Chemical Information and Computer Sciences, Vol. 40, No. 1, 2000, p. 99-106.

Research output: Journal contributionsJournal articlesResearchpeer-review

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@article{6e6ac00095ba49e6a0689ca1785156dc,
title = "Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.",
abstract = "It is demonstrated how the complexity of a (molecular) graph can be quantified in terms of the walk counts, extremely easily obtained graph invariants that depend on size, branching, cyclicity, and edge and vertex weights (unsaturation, heteroatoms). The influence of symmetry is easily accounted for. The term labyrinthicity is proposed for what is measured by walk counts alone, neglecting symmetry. The total walk count and recently advanced measures of labyrinthicity or complexity are compared with respect to the ordering of structures and to the computational effort required to obtain numerical values.",
keywords = "Chemistry",
author = "Gerta R{\"u}cker and Christoph R{\"u}cker",
year = "2000",
doi = "10.1021/ci9900579",
language = "English",
volume = "40",
pages = "99--106",
journal = "Journal of Chemical Information and Computer Sciences",
issn = "0095-2338",
publisher = "American Chemical Society",
number = "1",

}

RIS

TY - JOUR

T1 - Walk counts, labyrinthicity, and complexity of acyclic and cyclic graphs and molecules.

AU - Rücker, Gerta

AU - Rücker, Christoph

PY - 2000

Y1 - 2000

N2 - It is demonstrated how the complexity of a (molecular) graph can be quantified in terms of the walk counts, extremely easily obtained graph invariants that depend on size, branching, cyclicity, and edge and vertex weights (unsaturation, heteroatoms). The influence of symmetry is easily accounted for. The term labyrinthicity is proposed for what is measured by walk counts alone, neglecting symmetry. The total walk count and recently advanced measures of labyrinthicity or complexity are compared with respect to the ordering of structures and to the computational effort required to obtain numerical values.

AB - It is demonstrated how the complexity of a (molecular) graph can be quantified in terms of the walk counts, extremely easily obtained graph invariants that depend on size, branching, cyclicity, and edge and vertex weights (unsaturation, heteroatoms). The influence of symmetry is easily accounted for. The term labyrinthicity is proposed for what is measured by walk counts alone, neglecting symmetry. The total walk count and recently advanced measures of labyrinthicity or complexity are compared with respect to the ordering of structures and to the computational effort required to obtain numerical values.

KW - Chemistry

UR - http://www.scopus.com/inward/record.url?scp=0002525670&partnerID=8YFLogxK

U2 - 10.1021/ci9900579

DO - 10.1021/ci9900579

M3 - Journal articles

VL - 40

SP - 99

EP - 106

JO - Journal of Chemical Information and Computer Sciences

JF - Journal of Chemical Information and Computer Sciences

SN - 0095-2338

IS - 1

ER -

DOI