For over three decades,controlled drug delivery by magnetic force,as exemplified by magnetic nanoparticles,has been of great interest,simply because it is relatively easy to apply a magnetic force extracorporeally.Such magnetic nanoparticles,may have other biological applications,such as tissue repair,detoxification of biological fluids and magnetic resonance imaging.However,despite these efforts,micelle compounds have had limited clinical use,partially because these micelles are often too large in size and may be rapidly lost during systemic circulation or digestion in vivo.We have found that this magnetic organic complex (EI236) exhibits anti-cancer property and,more important,possesses a magnetic property as it was readily attached to a magnet.First principles calculations,such as the standard method of physics and chemistry to design functional materials,such as semiconductor,solar cell and so on,are applied to identifying the magnetic organic complex.