Topological analysis

Topological Analysis

Topological analysis and Quantum mechanical structure of Ozone

Topological analysis has been performed on the total electron density of the two forms of Ozonemolecule,C2V and D3H ,to investigate the nature of chemical bonds ,molecular structure , atomiccharges and electrical properties. While these concepts have been completely discussed usingclassical models the emphasize in this work is based on Quantum Theory of Atoms in Molecules(QTAIM). Because the D3...

QSPR Analysis with Curvilinear Regression Modeling and Topological Indices

Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

Topological Vulnerability Analysis

Traditionally, network administrators rely on labor-intensive processes for tracking network configurations and vulnerabilities. This requires a great deal of expertise, and is error prone because of the complexity of networks and associated security data. The interdependencies of network vulnerabilities make traditional point-wise vulnerability analysis inadequate. We describe a Topological Vu...

Topological analysis of HHAT

Hedgehog proteins are secreted morphogens that play critical roles in development and disease. During maturation of the proteins through the secretory pathway they are modified by the addition of N-terminal palmitic acid and C-terminal cholesterol moieties, both of which are critical for their correct function and localisation. Hedgehog acyltransferase (HHAT) is the enzyme in the endoplasmatic ...