How Do 3D Structures Affect Drug Design and Safety?
Understanding the 3D structures of chemicals is integral to drug design and safety assessment. Structure-activity relationship (SAR) studies utilize the 3D conformation of molecules to predict their biological activity and potential toxicity. By analyzing these relationships, researchers can design safer and more effective drugs with minimal adverse effects. In silico models can also help in predicting the toxicological profile of new compounds before they undergo experimental testing.
