3D QSAR

3D QSAR (Three-Dimensional Quantitative Structure-Activity Relationship) is a scientific method that models how the 3D structure of molecules influences their biological activity. By analyzing the spatial arrangement of atoms and features within a molecule, researchers can predict how changes in shape, charge, or groups affect its effectiveness or interaction with targets like enzymes or receptors. This approach helps in designing new, more effective compounds in drug development by providing insights into which structural characteristics are important for activity, saving time and resources in the discovery process.