Mouad Lahyaoui is a researcher whose work focuses on computational chemistry and structure-based approaches applied to drug design and development. His research involves molecular modeling, QSAR methodologies, and structure–activity relationship analysis to support the rational design and optimization of bioactive compounds. He is particularly interested in understanding how molecular structure influences biological activity and physicochemical properties relevant to pharmaceutical performance. His scientific interests include molecular simulation, cheminformatics, drug–target interaction analysis, and the integration of computational tools with experimental data in medicinal chemistry. He also works on solid-state aspects of pharmaceutical compounds, including structure–property relationships, polymorphism, and co-crystal formation, primarily from a modeling and theoretical perspective. Dr. Lahyaoui has authored and co-authored peer-reviewed publications indexed in international databases and actively contributes to the scientific community through reviewing activities. His research adopts a multidisciplinary approach that combines computational modeling with data-driven methods to address challenges in modern drug discovery.