A Data Science Approach to Bioinformatics

Computer aided drug design (CADD) which uses the computational advance towards to develop, discover and scrutinize and examine drugs and alike biologically agile molecules. CADD is a specialized stream which uses the computational techniques to mimic drug-receptor interactions. CADD procedures are so much dependent on the tools of bioinformatics, databases & applications. There are so many advantages of computer aided drug discovery; it saves lot of time which is one of the main advantages followed by low cost and more accuracy. CADD required less manpower to work. There are different types of CADD such as ligand and structure based design. Objectives of the Computer aided drug design are to boost up the screening process, to test the rational of drug design, to efficiently screen and to remove hopeless ones as early as possible. In Drug designing the selected molecule should be organic small molecule, complementary in shape to the target and oppositely charged to the biomolecular target. The molecule will interacts and binds with the target which activates or inhibits the function of a biomolecule such as a protein or lipid. The main basic goal in the drug design is to forecast whether a given molecule will bind to target and if thus how strongly. Molecular mechanics techniques also used to provide the semi quantitative prediction of the binding affinity. These techniques use machine learning, linear regression, neural nets or other statistical methods to derive predictive binding affinity equations. Preferably, the computational technique will be able to forecast the affinity prior to a compound is synthesized, saving huge time and cost. Computational techniques have quickened the discovery by decreasing the number of iterations required and have often produced the novel structures.