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See Latest Articles3D-QSAR studies of cytotoxic heterocyclic quinones using calculated reduction potential
Drug Development Research, 09/16/09
Lee Y et al. – The potentials for the one–electron reduction of quinones were calculated from LUMO energies using the semi–empirical Austin Model 1 (AM1) method. These also showed a good correlation with the cytotoxic activities of the quinones.
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