QSAR modeling

Quantitative Structure-Activity Relationship (QSAR) modeling is a scientific method used to predict how a chemical compound will behave or interact based on its molecular structure. By analyzing known data, QSAR creates mathematical models to estimate properties like toxicity, effectiveness, or environmental impact of new compounds without physical testing. It helps chemists design safer, more effective substances efficiently, reducing time and costs in research and development. Essentially, QSAR links a molecule's features to its biological effects, enabling informed predictions and better decision-making in chemical and pharmaceutical industries.