The Measurement of Molecular Biological Activity based on Quantitative Structure Activity Relationships
Keywords:Computer aided molecular design, CAMD, Quantitative Structure Activity Relationship, QSAR, Drug design, Chemical dataset, molecular design
The urge of producing new chemical compounds under eco-friendly production restriction and with minimum side effects is significantly rising, considering the difficulties that conventional methods are dealing with, from financial investments and being time consuming to multi resistance microorganisms and untreatable diseases. Rational molecular design methods like Computer Aided Molecular Design (CAMD) and Quantitative Structure Activity Relationship (QSAR) allow the production of new substances with pre-decided properties and correlate the structure to biological activity, which influences the drug development process and minimizes the financial investment involved in the process. QSAR employs several descriptors to decode the molecular configuration of a compound, which facilitate the understanding of its physical and biological properties. There are various conditions such as the selection of compounds and descriptors that must be accomplished for developing an applicable model of QSAR. The underlining principles and steps of QSAR are explained in this review paper.