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MIANN models in medicinal, physical and organic chemistry
(Bentham, 2013)
[Abstract] Reducing costs in terms of time, animal sacrifice, and material resources with computational methods has become a promising goal in Medicinal, Biological, Physical and Organic Chemistry. There are many computational ...
The Rücker–Markov invariants of complex bio-systems: applications in parasitology and neuroinformatics
(Elsevier, 2013-02-23)
[Abstract] Rücker's walk count (WC) indices are well-known topological indices (TIs) used in Chemoinformatics to quantify the molecular structure of drugs represented by a graph in Quantitative structure–activity/property ...
S2SNet: a tool for transforming characters and numeric sequences into star network topological indices in chemoinformatics, bioinformatics, biomedical, and social-legal sciences
(Bentham, 2013)
[Abstract] The study of complex systems such as proteins/DNA/RNA or dynamics of tax law systems can be carried out with the complex network theory. This allows the numerical quantification of the significant information ...
Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors
(American Chemical Society, 2013-12-08)
[Abstract] The use of numerical parameters in Complex Network analysis is expanding to new fields of application. At a molecular level, we can use them to describe the molecular structure of chemical entities, protein ...