Acknowledgements

The authors thank Bernd Kramer (4 Scientific Computing GmbH, Martinsried) for fruitful discussions on this topic and preparing most of the input data used in this article. We also thank our cooperation partners, especially Gerhard Klebe (University of Marburg), Hans Briem and Uta Lessel (Boehringer Ingelheim Pharma KG, Ingelheim) for various helpful comments during the method development. This work is part of the Relimo project, funded by the bmb+f (Bundesministerium für Bildung und Forschung) and the participat-

ing industrial partners Boehringer Ingelheim Pharma KG and Merck KgaA, Darmstadt under grant 03 11 620.

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