Advancement of Drug Discovery Using Artificial Intelligence and Machine Learning

Sadia Islam Nilima, Md. Sazzad Hossain, Sadia Sharmin, Rukshanda Rahman, Hammed Esa, Mia Md Tofayel Gonee Manik, Rakibul Hasan · 2024

The current boom in artificial intelligence and machine learning has significantly reduced human labor and greatly improved quality of life. This paper explores how AI and ML are being applied to streamline drug discovery and development, enhancing both efficiency and accuracy. Nevertheless, the limited effectiveness, distribution to unintended targets, time-consuming nature, and exorbitant expenses provide significant obstacles and difficulties that affect the process of drug design and development. The study involved an extensive literature review of numerous research articles and effectively highlight and discuss about the application of various advanced algorithms for drug discovery. The study highlighted how AI and ML contribute to reducing the time and cost associated with drug development and discovery. These technologies allow for the use of simulations, which can potentially obviate the need for clinical trials, and enable researchers to conduct extensive studies on various compounds without experimental trials. The results illustrate the extensive application of AI and ML in drug discovery, indicating a promising future for these technologies. They hold significant potential for further exploration and application in drug discovery and development by researchers, students, and the pharmaceutical industry. Finally, the progress in AI and deep learning presents a promising chance for the rational development and exploration of drugs, ultimately benefiting humanity.

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