@article {bioinflmu-283, title = {{Determination of Reaction Mappings and Reaction Center Information: The Imaginary Transition State Energy approach}}, journal = {J. Chem. Inf. Model.}, volume = {48}, number = {6}, year = {2008}, pages = {1181{\textendash}1189}, keywords = {cheminfo}, doi = {10.1021/ci7004324}, author = {Robert K{\"o}rner and Joannis Apostolakis} }