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Chemmedchem
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December 7, 2017
Exploring Structure-Activity Relationships with Three-Dimensional Matched Molecular Pairs-A Review
Emanuel S R Ehmki, Matthias Rarey
Journal of Chemical Information and Modeling
|
May 2, 2017
Matched Molecular Series: Measuring SAR Similarity
Emanuel S R Ehmki, Christian Kramer
Journal of Chemical Information and Modeling
|
May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
Emanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Journal of Chemical Information and Modeling
|
January 2, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
Emanuel S R Ehmki, Torben Gutermuth, Tobias Harren, et al.
Molecular Informatics
|
September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Journal of Computer-Aided Molecular Design
|
June 9, 2016
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design
Johannes R Loeffler, Emanuel S R Ehmki, Julian E Fuchs, et al.
Journal of Chemical Information and Modeling
|
May 24, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms
Robert Schmidt, Emanuel S R Ehmki, Farina Ohm, et al.
Journal of Chemical Information and Modeling
|
May 8, 2026
Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail
Torben Gutermuth, Emanuel S R Ehmki, Florian Flachsenberg, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Chemmedchem
|
December 7, 2017
Exploring Structure-Activity Relationships with Three-Dimensional Matched Molecular Pairs-A Review
Emanuel S R Ehmki, Matthias Rarey
Journal of Chemical Information and Modeling
|
May 2, 2017
Matched Molecular Series: Measuring SAR Similarity
Emanuel S R Ehmki, Christian Kramer
Journal of Chemical Information and Modeling
|
May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection Analysis
Emanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Journal of Chemical Information and Modeling
|
January 2, 2026
ActivityFinder: Toward the Fully Automatic Integration of Structural and Binding Affinity Data
Emanuel S R Ehmki, Torben Gutermuth, Tobias Harren, et al.
Molecular Informatics
|
September 30, 2020
SMARTS.plus - A Toolbox for Chemical Pattern Design
Christiane Ehrt, Bennet Krause, Robert Schmidt, et al.
Journal of Computer-Aided Molecular Design
|
June 9, 2016
Kinetic barriers in the isomerization of substituted ureas: implications for computer-aided drug design
Johannes R Loeffler, Emanuel S R Ehmki, Julian E Fuchs, et al.
Journal of Chemical Information and Modeling
|
May 24, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Theory and Algorithms
Robert Schmidt, Emanuel S R Ehmki, Farina Ohm, et al.
Journal of Chemical Information and Modeling
|
May 8, 2026
Enabling Automatic Generation of Protein-Ligand Complex Data Sets with Atomistic Detail
Torben Gutermuth, Emanuel S R Ehmki, Florian Flachsenberg, et al.
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of 1