COSMO-RS (short for COnductor like Screening MOdel for Real Solvents) is a quantum chemistry based equilibrium thermodynamics method with the purpose… (More)

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2016

2016

- Andreas Klamt, Frank Eckert, Jens Reinisch, Karin Wichmann
- Journal of Computer-Aided Molecular Design
- 2016

The Conductor-Like-Screening-Model for Real Solvents (COSMO-RS) method has been used for the blind prediction of cyclohexane… (More)

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2012

2012

- Jens Reinisch, Andreas Klamt, Michael Diedenhofen
- Journal of Computer-Aided Molecular Design
- 2012

The COSMO-RS method has been used for the prediction of free energies of hydration on the dataset of 36 chlorinated ethanes… (More)

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2010

2010

- Andreas Klamt, Michael Diedenhofen
- Journal of Computer-Aided Molecular Design
- 2010

The COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with COSMO-RS, a… (More)

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2009

2009

- Frank Eckert, Ivo Leito, Ivari Kaljurand, Agnes Kütt, Andreas Klamt, Michael Diedenhofen
- Journal of Computational Chemistry
- 2009

The COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical… (More)

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2008

2008

- Mara G. Freirea, Sónia P.M. Venturaa, Isabel M. Marruchoa, João A. P. Coutinhoa
- 2008

Ionic liquids (ILs) have ach Received 13 February 2008 Received in revised form 11 April 2008 Accepted 14 April 2008 Available… (More)

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2006

2006

- Michael Thormann, Andreas Klamt, Martin Hornig, Michael Almstetter
- Journal of Chemical Information and Modeling
- 2006

A novel approach for the quantification of drug similarity is proposed, which makes use of the surface polarities, that is… (More)

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2006

2006

- Frank Eckert, Andreas Klamt
- Journal of Computational Chemistry
- 2006

The COSMO-RS method, a combination of the quantum chemical dielectric continuum solvation model COSMO with a statistical… (More)

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2002

2002

- R. Taylor, H. A. Kooijman, Alexandre Luis Klamt, Frank Eckert
- 2002

COSMO-RS is a novel and efficient method for the a-priori prediction of thermodynamic properties of mixtures. It is based on… (More)

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2002

2002

- Andreas Klamt, Frank Eckert, Martin Hornig, Michael E. Beck, Thorsten Bürger
- Journal of Computational Chemistry
- 2002

The COSMO-RS method, originally developed for the prediction of liquid-liquid and liquid-vapor equilibrium constants based on… (More)

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2001

2001

- Andreas Klamt, Frank Eckert, Martin Hornig
- Journal of Computer-Aided Molecular Design
- 2001

Both, dielectric continuum solvation models as well as surface or group based methods using polarity and lipophilicity parameters… (More)

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