Frank Eckert

According to our database, Frank Eckert authored at least 8 papers between 1997 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

COSMO-RS blind prediction of distribution coefficients and aqueous pKa values from the SAMPL8 challenge.

Michael Diedenhofen, Frank Eckert, Selman Terzi

J. Comput. Aided Mol. Des., August, 2023

2016

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

2009

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

2006

Accurate prediction of basicity in aqueous solution with COSMO-RS.

Frank Eckert, Andreas Klamt

J. Comput. Chem., 2006

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

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

2001

COSMO-RS: A novel view to physiological solvation and partition questions.

Andreas Klamt, Frank Eckert, Martin Hornig

J. Comput. Aided Mol. Des., 2001

1997

Ab initio geometry optimization for large molecules.

Frank Eckert, Peter Pulay, Hans-Joachim Werner

J. Comput. Chem., 1997