Vol 1, No 1 (2023)

Application of Machine Learning Algorithms in Drug Discovery

Authors:  Devraju Reddy, Paras Agarwal, Harish Punj

Abstract: The discovery and development of new drugs is a complex and time-consuming process. Traditional methods for drug discovery rely on experimental trial and error, which is costly and inefficient. In recent years, machine learning algorithms have emerged as powerful tools for accelerating the drug discovery process. This paper aims to explore the various applications of machine learning algorithms in drug discovery and highlight their potential to revolutionize the field. Furthermore, we present examples of successful applications and discuss challenges and future prospects.

Keywords: Machine learning, Drug discovery, Artificial intelligence, Target identification, Virtual screening, Lead generation, Structure-based drug design, Toxicity prediction, Pharmacokinetic, ADME properties

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