The Matrix Expression, Topological Index and Atomic Attribute of Molecular Topological Structure

Abstract

The matrix expression, topological index and atomic attribute of molecular topological structure are reviewed. Nine matrices, twenty-six kinds of indices and eight methods dealing with weighted molecular graphs are summed up in three tables. Some shortcomings of the topological indices are discussed as: (1) the physical-chemical meaning of topological index is not explicit; (2) it is difficult to interpret the QSAR and QSPR models derived from the topological indices; and (3) topological index usually neglects the stereochemical information or the three-dimensional structure of the molecule. Three directions of topological index are focused on: (1) description of local information; (2) studies on inter-correlation of topological index; and (3) variable index.

On Topological Analysis of Niobium (II) Oxide Network via Curve Fitting and Entropy Measures

“…is is due to the fact that biological variations can be explained in the form of chemical variations. Such analyses are performed continually to obtain profound results [5,6]. Topological indices play a vital part in equipping directions to treat cancers or tumors.…”