New-Generation Drug Discovery using Machine Learning

Abstract

Abstract: Finding innovative molecules with specific chemical properties to treat diseases is one of the goals of drug discovery. Recent years have seen the production of a sizable volume of biological data from many sources. These statistics and molecular analyses have been used to determine the most effective medications. Medical research often frustrates people and is far more expensive. The work at hand is made easier by having the ability to predict whether a medicine will be active or not. The information about the drug can also be used to develop other drugs. One application that makes use of machine learning to enhance decision-making in pharmaceutical data across numerous applications is quantitative structure activity relationship (QSAR) analysis. Machine learning-based predictive models have recently gained a lot of attention in areas outside of preclinical research. Costs and research times associated with finding new drugs are considerably decreased at this stage. Drug research is growing and more commonly utilising machine learning, algorithms for pattern recognition, knowledge of mathematical correlations, and knowledge of the chemical and biological characteristics of molecules. The necessity for a sizable volume of data, the incapacity to interpret the data, and other issues are further restrictions. Without the need for computational resources, massive amounts of data can be analysed using both physical models and machine learning approaches.