The structural information content of chemical networks

Matthias Dehmer; Frank Emmert-Streib

doi:10.1515/zna-2008-3-407

The structural information content of chemical networks

Matthias Dehmer^*
, Frank Emmert-Streib

^*Corresponding author for this work

Vienna University of Technology (TU Vienna)
University of Washington

Research output: Contribution to journal › Article › peer-review

Abstract

We present an information-theoretic method to measure the structural information content of networks and apply it to chemical graphs. As a result, we find that our entropy measure is more general than classical information indices known in mathematical and computational chemistry. Further, we demonstrate that our measure reflects the essence of molecular branching meaningfully by determining the structural information content of some chemical graphs numerically.

Original language	English
Pages (from-to)	155-158
Number of pages	4
Journal	Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume	63
Issue number	3-4
DOIs	https://doi.org/10.1515/zna-2008-3-407
Publication status	Published - 2008
Externally published	Yes

Keywords

Chemical graph theory
Graph entropy
Information theory
Structural information content

Access to Document

10.1515/zna-2008-3-407

Cite this

@article{1231a84bfb1a4c70864f763e820e714c,

title = "The structural information content of chemical networks",

abstract = "We present an information-theoretic method to measure the structural information content of networks and apply it to chemical graphs. As a result, we find that our entropy measure is more general than classical information indices known in mathematical and computational chemistry. Further, we demonstrate that our measure reflects the essence of molecular branching meaningfully by determining the structural information content of some chemical graphs numerically.",

keywords = "Chemical graph theory, Graph entropy, Information theory, Structural information content",

author = "Matthias Dehmer and Frank Emmert-Streib",

year = "2008",

doi = "10.1515/zna-2008-3-407",

language = "English",

volume = "63",

pages = "155--158",

journal = "Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences",

issn = "0932-0784",

publisher = "Walter de Gruyter GmbH",

number = "3-4",

}

TY - JOUR

T1 - The structural information content of chemical networks

AU - Dehmer, Matthias

AU - Emmert-Streib, Frank

PY - 2008

Y1 - 2008

N2 - We present an information-theoretic method to measure the structural information content of networks and apply it to chemical graphs. As a result, we find that our entropy measure is more general than classical information indices known in mathematical and computational chemistry. Further, we demonstrate that our measure reflects the essence of molecular branching meaningfully by determining the structural information content of some chemical graphs numerically.

AB - We present an information-theoretic method to measure the structural information content of networks and apply it to chemical graphs. As a result, we find that our entropy measure is more general than classical information indices known in mathematical and computational chemistry. Further, we demonstrate that our measure reflects the essence of molecular branching meaningfully by determining the structural information content of some chemical graphs numerically.

KW - Chemical graph theory

KW - Graph entropy

KW - Information theory

KW - Structural information content

UR - https://www.scopus.com/pages/publications/46649096825

U2 - 10.1515/zna-2008-3-407

DO - 10.1515/zna-2008-3-407

M3 - Article

AN - SCOPUS:46649096825

SN - 0932-0784

VL - 63

SP - 155

EP - 158

JO - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

JF - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

IS - 3-4

ER -

The structural information content of chemical networks

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this