Drug discovery is an extended and challenging procedure with four primary stages: (i) target selection and validation; (ii) compound screening and lead optimization; (iii) preclinical research; and (iv) clinical trials. The combination of artificial intelligence (AI) with new experimental technologies is intended to improve the search for novel drugs faster, cheaper, and more effective. AI is the term used to describe the intelligence produced by human-made machines. It is a broad field of study that encompasses languages, cybernetics, neuro-physiology, psychology, and computer science. The drug development company is attracted to Artificial Intelligence technologies because of their robotic nature, predictive powers, and the resulting anticipated gain in productivity. Using feature-finding strategies, unsupervised machine learning can provide outcomes such as disease target and illness subtype detection. A new AI diagnostic tool is aware of when to consult a doctor. The ability of a new artificial intelligence diagnostic system to acknowledge its own limitations and seeks the aid of a carbon-based lifeform that may be able to make a more accurate judgment. The pharmaceutical and medical industries are anticipated to undergo a revolution due to artificial intelligence, according to a forecast rise of 40 percent from 2017 to 2024.Global pharmaceutical industry is working with artificial intelligence organization to build not only vital healthcare tools and drug molecules for rare disease but also for market research.