Andreas Klamt

Orcid: 0000-0002-5320-6219

According to our database¹, Andreas Klamt authored at least 22 papers between 2001 and 2020.

Collaborative distances:

Dijkstra number² of five.
Erdős number³ of four.

Timeline

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In proceedings

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PhD thesis

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Bibliography

2020

COSMO-RS based predictions for the SAMPL6 logP challenge.

[BibT_eX]

[DOI]

Christoph Loschen

Jens Reinisch

Andreas Klamt

J. Comput. Aided Mol. Des., 2020

2018

A refined cavity construction algorithm for the conductor-like screening model.

[BibT_eX]

[DOI]

Andreas Klamt

Michael Diedenhofen

J. Comput. Chem., 2018

2016

Prediction of cyclohexane-water distribution coefficients with COSMO-RS on the SAMPL5 data set.

[BibT_eX]

[DOI]

J. Comput. Aided Mol. Des., 2016

2014

Prediction of free energies of hydration with COSMO-RS on the SAMPL4 data set.

[BibT_eX]

[DOI]

Jens Reinisch

Andreas Klamt

J. Comput. Aided Mol. Des., 2014

2013

3D-QSAR reloaded: Open3DALIGN meets COSMOsar3D.

[BibT_eX]

[DOI]

Paolo Tosco

Andreas Klamt

J. Cheminformatics, 2013

2012

COSMOsim3D: 3D-Similarity and Alignment Based on COSMO Polarization Charge Densities.

[BibT_eX]

[DOI]

Michael Thormann

Andreas Klamt

Karin Wichmann

J. Chem. Inf. Model., 2012

COSMOsar3D: Molecular Field Analysis Based on Local COSMO σ-Profiles.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2012

COSMOsim3D for drug-similarity, alignment, and molecular field analysis.

[BibT_eX]

[DOI]

Andreas Klamt

Karin Wichmann

Michael Thormann

J. Cheminformatics, 2012

Solvent-screening and co-crystal screening for drug development with COSMO-RS.

[BibT_eX]

[DOI]

Andreas Klamt

J. Cheminformatics, 2012

Prediction of free energies of hydration with COSMO-RS on the SAMPL3 data set.

[BibT_eX]

[DOI]

Jens Reinisch

Andreas Klamt

Michael Diedenhofen

J. Comput. Aided Mol. Des., 2012

2010

Some conclusions regarding the predictions of tautomeric equilibria in solution based on the SAMPL2 challenge.

[BibT_eX]

[DOI]

Andreas Klamt

Michael Diedenhofen

J. Comput. Aided Mol. Des., 2010

Blind prediction test of free energies of hydration with COSMO-RS.

[BibT_eX]

[DOI]

Andreas Klamt

Michael Diedenhofen

J. Comput. Aided Mol. Des., 2010

2009

Prediction of acidity in acetonitrile solution with COSMO-RS.

[BibT_eX]

[DOI]

J. Comput. Chem., 2009

2007

Prediction of Blood-Βrain Partitioning and Human Serum Albumin Binding Based on COSMO-RS σ-Moments.

[BibT_eX]

[DOI]

Karin Wichmann

Michael Diedenhofen

Andreas Klamt

J. Chem. Inf. Model., 2007

2006

COSMOsim: Bioisosteric Similarity Based on COSMO-RS sigma Profiles.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2006

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

[BibT_eX]

[DOI]

Frank Eckert

Andreas Klamt

J. Comput. Chem., 2006

2005

Use of Surface Charges from DFT Calculations To Predict Intestinal Absorption.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2005

COSMOfrag: A Novel Tool for High-Throughput ADME Property Prediction and Similarity Screening Based on Quantum Chemistry.

[BibT_eX]

[DOI]

Martin Hornig

Andreas Klamt

J. Chem. Inf. Model., 2005

Molecular Similarity Searching Using COSMO Screening Charges (COSMO/3PP).

[BibT_eX]

[DOI]

Proceedings of the Computational Life Sciences, First International Symposium, 2005

2002

A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt.

[BibT_eX]

[DOI]

J. Chem. Inf. Comput. Sci., 2002

Prediction of aqueous solubility of drugs and pesticides with COSMO-RS.

[BibT_eX]

[DOI]

J. Comput. Chem., 2002

2001

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

[BibT_eX]

[DOI]

Andreas Klamt

Frank Eckert

Martin Hornig

J. Comput. Aided Mol. Des., 2001

Andreas Klamt

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