conclusions some results of the correlation coefficients are not the same with visualization. the reason may be due to the small number of data. materials and methods in the foundation-application study, we constructed two-way gene networks using nonparametric methods, such as spearman’s rank correlation coefficient and blomqvist’s measure, and compared them with pearson’s correlation coefficie...

one of the useful indices in molecular topology is randić index. the alternative double bonds andconjugation in the polyene compounds are one of the main properties in these compounds. someof the molecular orbital and structural properties refer to this specialty, such as: molar absorptioncoefficient (εmax) , electrical conductivity and difference energy level of the homo and lumoorbitals, etc....

in this paper, we introduce the concept of dynamical distance on a nuclear con- guration space. we partition the nuclear con guration space into disjoint classes. this clas-si cation coincides with the classical partitioning of molecular systems via the concept ofconjugacy of dynamical systems. it gives a quantitative criterion to distinguish dierentmolecular structures.

geopolymer cement (inorganic polymeric binder) based on natural pozzolan are investigated. SiOof activator and total molar ratios of Nacomposition exhibiting the highest 28-day compressive strength. Mixtures exhibiting the highest compressive strength were studied for their molecular structure using laboratory technique of Fourier transform infrared spectroscopy.Results obtained confirm that ch...

the relationship between the randic , wiener, hosoya , balaban, schultz indices, harary numbers anddistance matrix to enthalpies of formation (airf), heat capacity, (cp) , enthalpies of combustion (ah °c ),enthalpy of vaporization (ah °vap) and normal boiling points (bpk)of c2 c10 normal alkanes isrepresented

advanced technologies in molecular biology and modern experimental biophysics heavily rely not only on the knowledge of structure of essential proteins but also on their structural dynamics. the function of these bimolecular systems and the pathways along which the biological phenomena take place can be determined based on the knowledge of the molecular structure and behavior. as such, the simp...

in this work quantitative structure activity relationship (qsar) methodology was applied for modeling and prediction of cellular response to polymers that have been designed for tissue engineering. after calculation and screening of molecular descriptors, linear and nonlinear models were developed by using multiple linear regressions (mlr) and artificial neural network (ann) methods. the root m...