Quantitative structure-activity relationship (QSAR) modeling pertains to the construction of predictive models of biological activities as a function of structural and molecular information of a compound library. The concept of QSAR has typically been used for drug discovery and development and has gained wide applicability for correlating molecular information with not only biological activities but also with other physicochemical properties, which has therefore been termed quantitative structure-property relationship (QSPR). Typical molecular parameters that are used to account for electronic properties, hydrophobicity, steric effects, and topology can be determined empirically through experimentation or theoretically via computational chemistry. A given compilation of data sets is then subjected to data pre-processing and data modeling through the use of statistical and/or machine learning techniques. This review aims to cover the essential concepts and techniques that are relevant for performing QSAR/QSPR studies through the use of selected examples from our previous work.

This study involves the preparation of four azodyes 2-(Procaine azo) - imidazole (L4), 2-(Procaine azo) phenylephrine (L3), 2-(Procaine azo) oxindol (L1) and 2-(Procaine azo)-4,5-diphenyl imidazole(L2). They have been described by C.H.N., I.R. and Visible spectroscopic techniques. The acid-base properties were studied at different pH values (0.67-12), then the ionization and protonation constants were determined.

This paper focused on the parts warping deformationin FDM, analyzed the source of the deformation andits action mechanism. A mathematical model of warping deformation in FDM is established base on three hypotheses. Through the analysis of the prototypingprocess of FDM, the influence degree of prototyping parameters, including the number of layers, the section length, the shaping room temperature and the line shrinking coefficient are given comprehensively andquantitatively. The analysis results explained some phenomenon in FDM reasonably. Furthermore, the results of this paper are useful in decreasing the warping deformation and improving the quality of FDM products.

The aim of the present work to the synthesis of different piperazine derivatives by using different aldehydes. The Structure of the synthesized compounds will be confirmed by spectral analysis like IR, NMR and Mass spetrum. The physical characterizations like molecular weight, melting point, Rf value and solubility of the synthesized compounds will be determined. The synthesized compounds will be subjected for Anti-bacterial evaluation.