Computational methods are changing how we discover and develop new drugs. Tools like molecular modeling and machine learning have become much more advanced and widely used. To really make an impact in this fast-moving field, it's important for researchers to understand how these methods work. This review takes a closer look at the main computational techniques used in drug discovery. It explains how they work, where they are used, and how they might improve in the future. The goal is to help researchers better understand these tools so they can contribute to the growing world of computational drug discovery.