Quantitative structure activity relationship: A tool for new drug design

Author : Shailesh G. Jawarkar, Madhuri D. Game

The concept of Quantitative structure activity relationship has typically been used for drug discovery and development. It has gained wide applicability for correlating molecular information with biological activities in terms of physicochemical properties. It helps to scientists in the development of reliable mathematical relationships linking chemical structures and pharmacological activity in quantitative manner of series of compound. A given compilation of data sets is then subjected to data pre-processing and data modelling through the use of statistical methods. QSAR decreases the educated guesses for synthesizing a number of compounds by facilitating the selection of the most promising candidates. The scope of this review is to highlight the QSAR studies for identification and optimization of ligands having potential to develop a new drug candidates.

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