Novel topological index F based on incidence matrix.
Based on incidence matrix W, the novel topological index F is defined by the matrices L, W, X as F = LWX. The properties, the chemical environments, and the interaction of the vertexes in a molecule are taken into account in this definition. Several good QSPR models in the hetero-atom-containing organic compounds and inorganic compounds are obtained. Moreover, based on the definition of F and the values C(i) of the vertexes or the values (m)F(ij) of the chemical bonds, we have obtained serial indices, (m)F(v), (m)F(b), and F(w). They are successfully applied to QSPR models and good correlation results have been obtained as well.
Yang
Feng
F
Department of Environmental and Chemical Engineering, Wuhan Institute of Science and Technology, Wuhan 430073, P.R. China. fengy@wist.edu.cn
Wang
Zhen-Dong
ZD
Huang
Yun-Ping
YP
Zhu
Hai-Liang
HL