Computational Drug Design is a scientific approach that uses computer simulations and models to discover and develop new medications. By analyzing the interactions between drugs and biological targets, researchers can predict how effective a drug will be before it is synthesized in the lab. This method helps to streamline the drug development process, saving time and resources. The process often involves techniques like molecular docking, where the fit between a drug and its target is evaluated, and quantitative structure-activity relationship (QSAR) modeling, which predicts the effects of chemical compounds. These tools enable scientists to design more effective and safer drugs.