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Expert Opinion on Drug Discovery
|
July 25, 2012
Advances in 2D fingerprint similarity searching
Hanna Geppert, Jürgen Bajorath
Chemical Biology & Drug Design
|
May 10, 2008
Random reduction in fingerprint bit density improves compound recall in search calculations using complex reference molecules
Yuan Wang, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
July 9, 2009
Shannon entropy-based fingerprint similarity search strategy
Yuan Wang, Hanna Geppert, Jürgen Bajorath
Chemical Biology & Drug Design
|
May 17, 2008
Methods for computer-aided chemical biology. Part 3: analysis of structure-selectivity relationships through single- or dual-step selectivity searching and Bayesian classification
Dagmar Stumpfe, Hanna Geppert, Jürgen Bajorath
Methods in Molecular Biology (Clifton, N.J.)
|
September 15, 2010
Application of support vector machine-based ranking strategies to search for target-selective compounds
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
September 29, 2009
Ligand prediction for orphan targets using support vector machines and various target-ligand kernels is dominated by nearest neighbor effects
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
March 3, 2009
Searching for target-selective compounds using different combinations of multiclass support vector machine ranking methods, kernel functions, and fingerprint descriptors
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Medicinal Chemistry
|
August 6, 2010
Scaffold hopping using two-dimensional fingerprints: true potential, black magic, or a hopeless endeavor? Guidelines for virtual screening
Martin Vogt, Dagmar Stumpfe, Hanna Geppert, et al.
Journal of Chemical Information and Modeling
|
March 6, 2008
Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds
Hanna Geppert, Tamás Horváth, Thomas Gärtner, et al.
Journal of Chemical Information and Modeling
|
September 30, 2011
Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential
Ruifang Li, Dagmar Stumpfe, Martin Vogt, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Expert Opinion on Drug Discovery
|
July 25, 2012
Advances in 2D fingerprint similarity searching
Hanna Geppert, Jürgen Bajorath
Chemical Biology & Drug Design
|
May 10, 2008
Random reduction in fingerprint bit density improves compound recall in search calculations using complex reference molecules
Yuan Wang, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
July 9, 2009
Shannon entropy-based fingerprint similarity search strategy
Yuan Wang, Hanna Geppert, Jürgen Bajorath
Chemical Biology & Drug Design
|
May 17, 2008
Methods for computer-aided chemical biology. Part 3: analysis of structure-selectivity relationships through single- or dual-step selectivity searching and Bayesian classification
Dagmar Stumpfe, Hanna Geppert, Jürgen Bajorath
Methods in Molecular Biology (Clifton, N.J.)
|
September 15, 2010
Application of support vector machine-based ranking strategies to search for target-selective compounds
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
September 29, 2009
Ligand prediction for orphan targets using support vector machines and various target-ligand kernels is dominated by nearest neighbor effects
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Chemical Information and Modeling
|
March 3, 2009
Searching for target-selective compounds using different combinations of multiclass support vector machine ranking methods, kernel functions, and fingerprint descriptors
Anne Mai Wassermann, Hanna Geppert, Jürgen Bajorath
Journal of Medicinal Chemistry
|
August 6, 2010
Scaffold hopping using two-dimensional fingerprints: true potential, black magic, or a hopeless endeavor? Guidelines for virtual screening
Martin Vogt, Dagmar Stumpfe, Hanna Geppert, et al.
Journal of Chemical Information and Modeling
|
March 6, 2008
Support-vector-machine-based ranking significantly improves the effectiveness of similarity searching using 2D fingerprints and multiple reference compounds
Hanna Geppert, Tamás Horváth, Thomas Gärtner, et al.
Journal of Chemical Information and Modeling
|
September 30, 2011
Development of a method to consistently quantify the structural distance between scaffolds and to assess scaffold hopping potential
Ruifang Li, Dagmar Stumpfe, Martin Vogt, et al.
Page
of 2