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On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs.

Research output: Journal contributions › Journal articles › Research › peer-review

Standard

On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs. / Rücker, Christoph; Rücker, Gerta.
In: Journal of Chemical Information and Computer Science, Vol. 31, No. 1, 01.02.1991, p. 123-126.

Research output: Journal contributions › Journal articles › Research › peer-review

Harvard

Rücker, C & Rücker, G 1991, 'On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs.', Journal of Chemical Information and Computer Science, vol. 31, no. 1, pp. 123-126. https://doi.org/10.1021/ci00001a022

APA

Rücker, C., & Rücker, G. (1991). On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs. Journal of Chemical Information and Computer Science, 31(1), 123-126. https://doi.org/10.1021/ci00001a022

Vancouver

Rücker C, Rücker G. On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs. Journal of Chemical Information and Computer Science. 1991 Feb 1;31(1):123-126. doi: 10.1021/ci00001a022

Bibtex

@article{c4a19b331ab94182942ba6d96e0a6b45,
title = "On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs.",
abstract = "A modification of the adjacency matrix power method described recently for the perception of symmetry in graphs is introduced, which expands the limits of the method far beyond the realm of chemically interesting graphs. The procedure finds the automorphism partition even for intricate graphs without performing a tree search. The calculation effort increases with the problem size polynomially for all tested cases, including strongly regular graphs, two-level regular graphs, and graphs corresponding to balanced incomplete block designs (BIBD). An equally powerful computer program for testing isomorphism of graphs based on the adjacency matrix power method is introduced.",
keywords = "Chemistry",
author = "Christoph R{\"u}cker and Gerta R{\"u}cker",
year = "1991",
month = feb,
day = "1",
doi = "10.1021/ci00001a022",
language = "English",
volume = "31",
pages = "123--126",
journal = "Journal of Chemical Information and Computer Science",
issn = "1520-5142",
publisher = "American Chemical Society",
number = "1",

}

RIS

TY - JOUR

T1 - On using the adjacency matrix power method for perception of symmetry and for isomorphism testing of highly intricate graphs.

AU - Rücker, Christoph

AU - Rücker, Gerta

PY - 1991/2/1

Y1 - 1991/2/1

N2 - A modification of the adjacency matrix power method described recently for the perception of symmetry in graphs is introduced, which expands the limits of the method far beyond the realm of chemically interesting graphs. The procedure finds the automorphism partition even for intricate graphs without performing a tree search. The calculation effort increases with the problem size polynomially for all tested cases, including strongly regular graphs, two-level regular graphs, and graphs corresponding to balanced incomplete block designs (BIBD). An equally powerful computer program for testing isomorphism of graphs based on the adjacency matrix power method is introduced.

AB - A modification of the adjacency matrix power method described recently for the perception of symmetry in graphs is introduced, which expands the limits of the method far beyond the realm of chemically interesting graphs. The procedure finds the automorphism partition even for intricate graphs without performing a tree search. The calculation effort increases with the problem size polynomially for all tested cases, including strongly regular graphs, two-level regular graphs, and graphs corresponding to balanced incomplete block designs (BIBD). An equally powerful computer program for testing isomorphism of graphs based on the adjacency matrix power method is introduced.

KW - Chemistry

UR - http://www.scopus.com/inward/record.url?scp=0026112345&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/545c7a09-d621-3364-84a7-03c1323a90f3/

U2 - 10.1021/ci00001a022

DO - 10.1021/ci00001a022

M3 - Journal articles

VL - 31

SP - 123

EP - 126

JO - Journal of Chemical Information and Computer Science

JF - Journal of Chemical Information and Computer Science

SN - 1520-5142

IS - 1

ER -

Related by journal

Computer perception of constitutional (topological) symmetry: TOPSYM, a fast algorithm for partitioning atoms and pairwise relations among atoms into equivalence classes.

Rücker, G. & Rücker, C., 01.05.1990, In: Journal of Chemical Information and Computer Sciences. 30, 2, p. 187-191 5 p.

Research output: Journal contributions › Journal articles › Research › peer-review

Counts of all walks as atomic and molecular descriptors.

Rücker, G. & Rücker, C., 01.09.1993, In: Journal of Chemical Information and Computer Science. 33, 5, p. 683-695 13 p.

Research output: Journal contributions › Journal articles › Research › peer-review

Isocodal and isospectral points, edges, and pairs in graphs and how to cope with them in computerized symmetry recognition

Rücker, G. & Rücker, C., 01.08.1991, In: Journal of Chemical Information and Computer Science. 31, 3, p. 422-427 6 p.

Research output: Journal contributions › Journal articles › Research › peer-review

Manual construction and mathematics- and computer-aided counting of stereoisomers. The example of oligoinositols

Rücker, C., Gugisch, R. & Kerber, A., 28.09.2004, In: Journal of Chemical Information and Computer Sciences. 44, 5, p. 1654-1665 12 p.

Research output: Journal contributions › Journal articles › Research › peer-review

Mathematical relation between extended connectivity and eigenvector coefficients.

Rücker, C. & Rücker, G., 01.05.1994, In: Journal of Chemical Information and Computer Science. 34, 3, p. 534-538 5 p.

Research output: Journal contributions › Journal articles › Research › peer-review

Other publications by the same author(s)

Are Si-C bonds cleaved by microorganisms? A critical review on biodegradation of methylsiloxanes

Rücker, C., Grabitz, E. & Kümmerer, K., 01.04.2023, In: Chemosphere. 321, 137858.

Research output: Journal contributions › Journal articles › Research › peer-review

Are Si–C bonds formed in the environment and/or in technical microbiological systems?

Rücker, C., Winkelmann, M. & Kümmerer, K., 08.2023, In: Environmental Science and Pollution Research. 30, 39, p. 91492-91500 9 p.

Research output: Journal contributions › Journal articles › Research › peer-review

REACH und QSAR: ein Leitfaden für kleine und mittlere Unternehmen

Rücker, C., Mahmoud, W. M. M., Kümmerer, K. & Zipperer, U. (Editor), 06.2015, Lüneburg: Leuphana Universität Lüneburg, 29 p.

Research output: Working paper › Project reports › Research

Comment on "nomenclature, Chemical Abstracts Service Numbers, Isomer Enumeration, Ring Strain, and Stereochemistry: What Does Any of This Have to Do with an International Chemical Disarmament and Nonproliferation Treaty?"

Rücker, C., Meringer, M. & Wassermann, A., 13.04.2021, In: Journal of Chemical Education. 98, 4, p. 1465-1467 3 p.

Research output: Journal contributions › Comments / Debate / Reports › Research

Octanol-Water Partition Coefficient Measurement by a Simple 1H NMR Method

Cumming, H. & Rücker, C., 30.09.2017, In: ACS Omega. 2, 9, p. 6244-6249 6 p.

Research output: Journal contributions › Journal articles › Research › peer-review

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