Ligand-Based QSAR

Ligand-Based QSAR (Quantitative Structure-Activity Relationship) is a scientific method used to predict how a small molecule (ligand) will interact with a target, like a protein, based on its chemical features. By analyzing known molecules and their activities, researchers develop mathematical models that relate molecular structure to biological effect. These models help in designing new compounds with desired properties, speeding up drug discovery without needing physical experiments for each new molecule. Essentially, Ligand-Based QSAR uses patterns from existing data to forecast the behavior of similar molecules.