Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts

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Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts. / Braun, Joachim; Kerber, Adalbert; Meringer, Markus et al.
In: MATCH Communications in mathematical and in computer chemistry, Vol. 54, No. 1, 2005, p. 163-176.

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@article{43fa8e7084fa42e0a63de97008b58c7f,
title = "Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts",
abstract = "The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M 2 and mwc (3), the molecular walk count of length 3, were found and proven to be affine dependent: mwc (3) = 2M 2. ",
keywords = "Chemistry, Mathematics",
author = "Joachim Braun and Adalbert Kerber and Markus Meringer and Christoph R{\"u}cker",
year = "2005",
language = "English",
volume = "54",
pages = "163--176",
journal = "MATCH Communications in mathematical and in computer chemistry",
issn = "0340-6253",
publisher = "University of Kragujevac, Faculty of Science",
number = "1",

}

RIS

TY - JOUR

T1 - Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts

AU - Braun, Joachim

AU - Kerber, Adalbert

AU - Meringer, Markus

AU - Rücker, Christoph

PY - 2005

Y1 - 2005

N2 - The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M 2 and mwc (3), the molecular walk count of length 3, were found and proven to be affine dependent: mwc (3) = 2M 2.

AB - The similarity of 608 molecular descriptors (including topological and geometrical indices) is measured using correlation coefficients. The computations are based on a library of 10946 diverse compounds. As a result, the second Zagreb index M 2 and mwc (3), the molecular walk count of length 3, were found and proven to be affine dependent: mwc (3) = 2M 2.

KW - Chemistry

KW - Mathematics

UR - http://www.scopus.com/inward/record.url?scp=27544488799&partnerID=8YFLogxK

M3 - Journal articles

VL - 54

SP - 163

EP - 176

JO - MATCH Communications in mathematical and in computer chemistry

JF - MATCH Communications in mathematical and in computer chemistry

SN - 0340-6253

IS - 1

ER -