Andreas Klamt

Jens Reinisch, Andreas Klamt, Michael Diedenhofen: Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. Journal of Computer-Aided Molecular Design 26(5): 669-673 (2012)

Andreas Klamt, Michael Diedenhofen: Blind prediction test of free energies of hydration with COSMO-RS. Journal of Computer-Aided Molecular Design 24(4): 357-360 (2010)

Andreas Klamt, Michael Diedenhofen: Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. Journal of Computer-Aided Molecular Design 24(6-7): 621-625 (2010)

Frank Eckert, Ivo Leito, Ivari Kaljurand, Agnes Kütt, Andreas Klamt, Michael Diedenhofen: Prediction of acidity in acetonitrile solution with COSMO-RS. Journal of Computational Chemistry 30(5): 799-810 (2009)

Frank Eckert, Andreas Klamt: Accurate prediction of basicity in aqueous solution with COSMO-RS. Journal of Computational Chemistry 27(1): 11-19 (2006)

Michael Thormann, Andreas Klamt, Martin Hornig, Michael Almstetter: COSMOsim: Bioisosteric Similarity Based on COSMO-RS sigma Profiles. Journal of Chemical Information and Modeling 46(3): 1040-1053 (2006)

Martin Hornig, Andreas Klamt: COSMOfrag: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry. Journal of Chemical Information and Modeling 45(5): 1169-1177 (2005)

Ron Jones, Paul C. Connolly, Andreas Klamt, Michael Diedenhofen: Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption. Journal of Chemical Information and Modeling 45(5): 1337-1342 (2005)

Andreas Bender, Andreas Klamt, Karin Wichmann, Michael Thormann, Robert C. Glen: Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). CompLife 2005: 175-185

Andreas Klamt, Frank Eckert, Martin Hornig, Michael E. Beck, Thorsten Bürger: Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. Journal of Computational Chemistry 23(2): 275-281 (2002)

Andreas M. Zissimos, Michael H. Abraham, Andreas Klamt, Frank Eckert, John Wood: A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt. Journal of Chemical Information and Computer Sciences 42(6): 1320-1331 (2002)

Andreas Klamt, Frank Eckert, Martin Hornig: COSMO-RS: A novel view to physiological solvation and partition questions. Journal of Computer-Aided Molecular Design 15(4): 355-365 (2001)