COSMO-RS: A novel view to physiological solvation and partition questions. - Andreas Klamt; Frank Eckert; Martin Hornig (J. Comput. Aided Mol. Des., 2001)

Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. - Andreas Klamt; Frank Eckert; Martin Hornig; Michael E. Beck; Thorsten Bürger (J. Comput. Chem., 2002)

A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt. - Andreas M. Zissimos; Michael H. Abraham; Andreas Klamt; Frank Eckert; John Wood (J. Chem. Inf. Comput. Sci., 2002)

Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP). - Andreas Bender 002; Andreas Klamt; Karin Wichmann; Michael Thormann; Robert C. Glen (CompLife, 2005)

COSMOfrag: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry. - Martin Hornig; Andreas Klamt (J. Chem. Inf. Model., 2005)

Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption. - Ron Jones; Paul C. Connolly; Andreas Klamt; Michael Diedenhofen (J. Chem. Inf. Model., 2005)

Accurate prediction of basicity in aqueous solution with COSMO-RS. - Frank Eckert; Andreas Klamt (J. Comput. Chem., 2006)

COSMOsim: Bioisosteric Similarity Based on COSMO-RS sigma Profiles. - Michael Thormann; Andreas Klamt; Martin Hornig; Michael Almstetter (J. Chem. Inf. Model., 2006)

Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments. - Karin Wichmann; Michael Diedenhofen; Andreas Klamt (J. Chem. Inf. Model., 2007)

Prediction of acidity in acetonitrile solution with COSMO-RS. - Frank Eckert; Ivo Leito; Ivari Kaljurand; Agnes Kütt; Andreas Klamt; Michael Diedenhofen (J. Comput. Chem., 2009)

Blind prediction test of free energies of hydration with COSMO-RS. - Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2010)

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge. - Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2010)

Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set. - Jens Reinisch; Andreas Klamt; Michael Diedenhofen (J. Comput. Aided Mol. Des., 2012)

Solvent-screening and co-crystal screening for drug development with COSMO-RS. - Andreas Klamt (J. Cheminformatics, 2012)

COSMOsim3D for drug-similarity, alignment, and molecular field analysis. - Andreas Klamt; Karin Wichmann; Michael Thormann (J. Cheminformatics, 2012)

COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles. - Andreas Klamt; Michael Thormann; Karin Wichmann; Paolo Tosco (J. Chem. Inf. Model., 2012)

COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities. - Michael Thormann; Andreas Klamt; Karin Wichmann (J. Chem. Inf. Model., 2012)

3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D. - Paolo Tosco; Andreas Klamt (J. Cheminformatics, 2013)

Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set. - Jens Reinisch; Andreas Klamt (J. Comput. Aided Mol. Des., 2014)

Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set. - Andreas Klamt; Frank Eckert; Jens Reinisch; Karin Wichmann (J. Comput. Aided Mol. Des., 2016)

A refined cavity construction algorithm for the conductor-like screening model. - Andreas Klamt; Michael Diedenhofen (J. Comput. Chem., 2018)

COSMO-RS based predictions for the SAMPL6 logP challenge. - Christoph Loschen; Jens Reinisch; Andreas Klamt (J. Comput. Aided Mol. Des., 2020)