Statistical network analysis framework

In organic chemistry, decomposition of molecules into substituents and molecular frameworks is a natural way to characterize molecular structures. In QSAR, both the Hansch-Fujita " and the Free-Wilson classical approaches are based on this decomposition, but only the second one explicitly accounts for the presence or the absence of substituent(s) attached to molecular framework at a certain position. While the multiple linear regression technique was associated with the Free-Wilson method, recent modifications of this approach involve more sophisticated statistical and machine-learning approaches, such as the principal component analysis and neural networks. ... 

Therefore, within the frameworks of fractal analysis an increase in network density with reduction in chain statistical flexibility was obtained. The increase in the number of topological fixation points of macromolecules in the glassy state in comparison with the high-elastic state can be predicted by using fractal analysis methods [29,61]. 

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