Frank Eckert

Publication Activity (10 Years)

Years Active: 1997-2023
Publications (10 Years): 2

Top Topics

Prediction Model

Conditional Distribution

Predicted Values

Top Venues

J. Comput. Aided Mol. Des.

Publications

Michael Diedenhofen, Frank Eckert, Selman Terzi
COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge. J. Comput. Aided Mol. Des. 37 (8) (2023)
Andreas Klamt, Frank Eckert, Jens Reinisch, Karin Wichmann
Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set. J. Comput. Aided Mol. Des. 30 (11) (2016)
Frank Eckert, Ivo Leito, Ivari Kaljurand, Agnes Kütt, Andreas Klamt, Michael Diedenhofen
Prediction of acidity in acetonitrile solution with COSMO-RS. J. Comput. Chem. 30 (5) (2009)
Frank Eckert, Andreas Klamt
Accurate prediction of basicity in aqueous solution with COSMO-RS. J. Comput. Chem. 27 (1) (2006)
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. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
Andreas Klamt, Frank Eckert, Martin Hornig, Michael E. Beck, Thorsten Bürger
Prediction of aqueous solubility of drugs and pesticides with COSMO-RS. J. Comput. Chem. 23 (2) (2002)
Andreas Klamt, Frank Eckert, Martin Hornig
COSMO-RS: A novel view to physiological solvation and partition questions. J. Comput. Aided Mol. Des. 15 (4) (2001)
Frank Eckert, Peter Pulay, Hans-Joachim Werner
Ab initio geometry optimization for large molecules. J. Comput. Chem. 18 (12) (1997)