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QSAR - Essay Example

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A qualitative structure activity relationship (QSAR) studies Name Institution date Abstract A qualitative structure activity relationship (QSAR) studies have been performed on numerous structured experiments including that aimed at determining the relationship between electronic parameters and topochemical and two measured activities…
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Download file to see previous pages The loaded values are expected to give descriptive information about the descriptors that will be interpreted in terms of significant biological correlation relationships. Notably, the experimental model applied in this study revealed that the main features describing the binding activities of the experimental compounds were partially charge-based receptors. This was an automatic measure of molecular electronic property. The same property can be used in an auto correlated that can be used to weigh substitute descriptors’ position. Additionally, the linear regression equation and its application can be used in predicting biological activity in the study. It is worth noting that the comparison of the result with the literature data indicates that the proposed quality of the model compared to the provided model compares well with the sophisticated 2D based method. Introduction The quantitative structured activity relationship, the QSAR techniques are currently suitable and indispensable in all research aspects especially in relation to biological molecular properties interpretation. Obviously, the chemical, biological, and or physical properties of a compound depend on the three dimensional (3D) molecular and atomic arrangement; however, the same properties can be examined in a two dimensional model. Notably, the capacity to produce qualitative and quantitative correlation between 2D molecular structures and their biological activities is fundamental in deciding what synthetic ways of bioactive chemicals. Numerous research works involving the application and use of QSAR have been applied in biological properties and structural determination of biological elements; for instance, the use of the Hansch molecule description. The QSARs analysis of the 2, 4- diamino – 5- (substituted benzyl) pyrimidines and 2,4 – diamino – 6 – dimethyl – 5 – phenyldihydrotriazines have suggested that neural network application have reliable and effective results than normal or traditional application of the regression methods. In supplementation with the regression processes, other techniques of determination of the activity of the biological molecules have since been introduced. This includes the use of inductive logic programming (ILP) that has since used to model the QSAR particularly in the trimethoprim analogues binding from E. coli to DHFR. This technique applies mainly the physiochemical attributes that are usually assigned to substituent heuristically towards a general approach. This application or process is usually applied to the design problem of drugs. However, it should be noted that this method is not significantly better than the regression or the traditional QSAR method; however, it is noted to produce rules that are likely to provide insight into the stereochemistry of the biological molecules under determination. In most cases, such stereochemistry does help in determining the structure and to some extent, depending on the analysis, chemical properties of a molecule. It should be noted that more evidence are still required to assess these newly applied methods properly to ascertain the comparative trials and the analysis in numerous and different ways. The biological steroids activities usually vary considerably depending on seemingly small structural changes within or about a molecule. The fundamental molecular family usually represents very challenging characteristics for any method of prediction. This ...Download file to see next pagesRead More
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