Results 261 to 270 of about 51,609 (309)
Predictive modeling for physicochemical properties of β-lactam antibiotics through eigenvalue based topological indices and non linear regression techniques. [PDF]
Sci RepYuvaraj A +4 more
europepmc +1 more source
Data-driven regression analysis of amylose using Sombor molecular descriptors. [PDF]
Sci RepMufti ZS +4 more
europepmc +1 more source
Journal of Mathematical Chemistry, 2015 zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Boris Furtula +2 more
exaly +3 more sources
Some of the next articles are maybe not open access.
Related searches:
Related searches:
On reciprocal molecular topological index
Journal of Mathematical Chemistry, 2007We report some properties of the reciprocal molecular topological index RMTI of a connected graph, and, in particular, its relationship with the first Zagreb index M-1. We also derive the upper bounds for RMTI in terms of the number of vertices and the number of edges for various classes of graphs, including Kr+1 -free graphs with r >= 2, quadrangle ...
Bo Zhou +2 more
exaly +2 more sources
K-Theory, 1997
The topological index was defined by Atiyah and Singer [see \textit{M. F. Atiyah} and \textit{I. M. Singer}, ``The index of elliptic operators. I'', Ann. Math., II. Ser. 87, 484-530 (1968; Zbl 0164.24001)] and they showed that this index satisfies three axioms: excision, multiplicativity and normalization.
Foth, Philip A., Tamarkin, Dmitry E.
openaire +1 more source
The topological index was defined by Atiyah and Singer [see \textit{M. F. Atiyah} and \textit{I. M. Singer}, ``The index of elliptic operators. I'', Ann. Math., II. Ser. 87, 484-530 (1968; Zbl 0164.24001)] and they showed that this index satisfies three axioms: excision, multiplicativity and normalization.
Foth, Philip A., Tamarkin, Dmitry E.
openaire +1 more source
Journal of Chemical Information and Computer Sciences, 1990
The molecular topological index (MTI) has been systematically tested for counterexamples (two or more nonisomorphic structures with the same MTI number). The analysis was carried out for alkane trees with up to 16 atoms. The search for counterexamples was positive : the first pair of alkane trees with identical MTI numbers was found in the octane ...
Wolfgang R. Mueller +3 more
openaire +1 more source
The molecular topological index (MTI) has been systematically tested for counterexamples (two or more nonisomorphic structures with the same MTI number). The analysis was carried out for alkane trees with up to 16 atoms. The search for counterexamples was positive : the first pair of alkane trees with identical MTI numbers was found in the octane ...
Wolfgang R. Mueller +3 more
openaire +1 more source
A Novel Quantum-Topology Index
Journal of Chemical Information and Computer Sciences, 2000By modifying the delta values of molecular connectivity indexes, new quantum-topology descriptors are presented in this paper. Their ability to describe molecular structure, both geometric and electronic, is established by correlating them with the bonding energy (E), force constant (kappa), and radius (R) of a heterogeneous set of monohydrides, as ...
Xinhua Li, Qingsen Yu, Longguan Zhu
openaire +2 more sources
On the forgotten topological index of graphs
Discrete Mathematics, Algorithms and Applications, 2020The forgotten topological index of a graph [Formula: see text] is defined as the sum of weights [Formula: see text] over all edges [Formula: see text] of [Formula: see text], where [Formula: see text] and [Formula: see text] are the degrees of the vertices [Formula: see text] and [Formula: see text] in [Formula: see text], respectively. In this paper,
openaire +2 more sources
On Hall and Kier's Topological State and Total Topological Index
Journal of Chemical Information and Computer Sciences, 1994The topological state and the total topological index, tau, have been tested systematically. Counterexamples are provided proving that the topological state method cannot determine classes of symmetrically equivalent atoms in a molecule fully correct ...
Chang-Yu Hu, Lu Xu
openaire +1 more source