ABSTRACT

The process of drug development is very time consuming and expensive. It takes more than a decade to develop a new drug. Computer aided drug design (CADD) is the use of computer which can help in identification of targets and in identification and selection of leads. Artificial intelligence (AI) in CADD has revolutionized the pharmaceutical industry by facilitating the drug discovery process. This article basically talks about the AI methods and tools that adds on to the features that are helpful in making the drug development process much easier than the traditional one. The contribution of AI in CADD comprises of various stages such as molecular docking, virtual screening, and lead optimization. Efficient analysis of vast chemical databases, predicting drug target interactions, and generating novel molecules with desired pharmacological properties are enabled by AI. The fusion of AI and CADD holds promise in overcoming traditional challenges, significantly reducing time and costs involved in drug development while promote the creation of safer and more efficacious medication.