De Novo Design refers to the process of creating new molecules or materials from scratch, rather than modifying existing ones. This approach is often used in fields like drug discovery and materials science, where researchers aim to design compounds with specific properties or functions. By leveraging computational tools and algorithms, scientists can predict how different molecular structures will behave, allowing for more efficient and targeted design. In drug development, de novo design can lead to the discovery of novel therapeutics that may be more effective or have fewer side effects than traditional drugs. This method enhances innovation by enabling the exploration of vast chemical spaces, ultimately accelerating the development of new solutions to complex challenges.