CoMFA (Comparative Molecular Field Analysis)

CoMFA (Comparative Molecular Field Analysis) is a method used in drug discovery to understand how the shape and electronic properties of molecules influence their biological activity. It involves creating 3D models of molecules and measuring the variations in their fields, such as electrostatic and steric interactions, across multiple compounds. By analyzing these field differences, CoMFA identifies features that contribute to effectiveness, guiding the design of more potent and targeted drugs. Essentially, it helps scientists predict how changes in a molecule's structure can improve or reduce its ability to interact with biological targets.