Quantitative Structure-Activity Relationship

Quantitative Structure-Activity Relationship (QSAR) is a scientific method used to predict how a chemical compound will behave or perform, based on its molecular structure. By analyzing the features of known compounds and their effects, QSAR models can estimate the activity or toxicity of new, untested chemicals. This approach helps scientists design safer and more effective drugs or chemicals more efficiently, reducing the need for extensive laboratory testing. Essentially, QSAR links the shape and composition of molecules to their biological effects, enabling informed predictions about their behavior.