The development of a recently proposed method for calculating molecular properties is outlined. The approach is based on the idea of constructing optimized compound samples for structure-property or structure-activity correlations by means of the so-cailed comparability graphs (CG) of isomeric compounds. A dynamic comparability principle is devised, proceeding from a series of standard molecula...

Topological indices have been used to modeling biological and chemical properties of molecules in quantitive structure property relationship studies and quantitive structure activity studies. All the degree based topological indices have been defined via classical degree concept. In this paper we define a novel degree concept for a vertex of a simple connected graph: S degree. And also we defin...

A chemical graph can be recognized by a numerical number (topological index), algebraic polynomial or any matrix. These numbers and polynomials help to predict many physico-chemical properties of underline chemical compound. In this paper, 1Corresponding author. we compute first and second Zagreb polynomials and multiple Zagreb indices of the Line graphs of Banana tree graph, Firecracker graph ...

Synthetic meshes are normally used to treat several diseases in the field of urogynecological surgery. Not-optimal selection of mesh and/or its not-correct implant may increase patient's pain and discomfort. The knowledge of mechanical behaviour and topological and chemical properties of a mesh plays a fundamental role to minimize patient's suffering and maximize the implant success. We analyse...

physicochemical and mechanical properties of wheat grains can have a great impact on the quality of the final products (bread). therefore, correct selection of wheat cultivar for specific applications seems to be crucial. in this study, the differences in the physicochemical and mechanical properties (under compression and impact loadings) of ten iranian wheat cultivars (azar2, alamut, bam, bah...

Platinum-based drugs are widely used in cancer chemotherapy. However, their clinical use is limited by systemic toxicity, rapid blood clearance, and the occurrence of resistance. Our research is aimed at increasing the therapeutic index of these drugs by encapsulation in a lipid formulation. Previously, we developed a method for efficient encapsulation of cisplatin in a lipid formulation, yield...