Similarity of molecular descriptors: The equivalence of Zagreb indices and walk counts
Research output: Journal contributions › Journal articles › Research › peer-review
Standard
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.Research output: Journal contributions › Journal articles › Research › peer-review
Harvard
APA
Vancouver
Bibtex
}
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
JF - Match
SN - 0340-6253
IS - 1
ER -