The structural information content of chemical networks

Matthias Dehmer; Frank Emmert-Streib

The structural information content of chemical networks

Tutkimustuotos: Artikkeli › Tieteellinen › vertaisarvioitu

8 Sitaatiot (Scopus)

Abstrakti

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.

Alkuperäiskieli	Englanti
Sivut	155-158
Sivumäärä	4
Julkaisu	Zeitschrift fur Naturforschung Section A: A Journal of Physical Sciences
Vuosikerta	63
Numero	3-4
Tila	Julkaistu - maalisk. 2008
Julkaistu ulkoisesti	Kyllä
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

!!ASJC Scopus subject areas

Physical and Theoretical Chemistry

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

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T1 - The structural information content of chemical networks

AU - Dehmer, Matthias

AU - Emmert-Streib, Frank

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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 - http://www.scopus.com/inward/record.url?scp=46649096825&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:46649096825

SN - 0932-0784

VL - 63

SP - 155

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

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

IS - 3-4

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The structural information content of chemical networks

Abstrakti

!!ASJC Scopus subject areas

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