| 2009 |
|---|
| 9 | EE | 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) |
| 2006 |
|---|
| 8 | EE | 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) |
| 7 | EE | Frank Eckert,
Andreas Klamt:
Accurate prediction of basicity in aqueous solution with COSMO-RS.
Journal of Computational Chemistry 27(1): 11-19 (2006) |
| 2005 |
|---|
| 6 | EE | Andreas Bender,
Andreas Klamt,
Karin Wichmann,
Michael Thormann,
Robert C. Glen:
Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP).
CompLife 2005: 175-185 |
| 5 | EE | 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) |
| 4 | EE | 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) |
| 2002 |
|---|
| 3 | EE | 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) |
| 2 | EE | 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) |
| 2001 |
|---|
| 1 | EE | 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) |
