Britta Nisius

发表

Rendering Conventional Molecular Fingerprints for Virtual Screening Independent of Molecular Complexity and Size Effects

Jürgen Bajorath, Britta Nisius, J. Bajorath, 2010, ChemMedChem.

Novel binding pocket descriptors based on DrugScore potential fields encoded by 3D Zernike descriptors

Holger Gohlke, Britta Nisius, Sha Fan, 2012, Journal of Cheminformatics.

Combining Cluster Analysis, Feature Selection and Multiple Support Vector Machine Models for the Identification of Human Ether‐a‐go‐go Related Gene Channel Blocking Compounds

Jürgen Bajorath, Britta Nisius, Andreas H Göller, 2009, Chemical biology & drug design.

Alignment-Independent Comparison of Binding Sites Based on DrugScore Potential Fields Encoded by 3D Zernike Descriptors

Holger Gohlke, Britta Nisius, H. Gohlke, 2012, J. Chem. Inf. Model..

Rationalizing the Role of SAR Tolerance for Ligand-Based Virtual Screening

Mathias Wawer, Jürgen Bajorath, Britta Nisius, 2011, J. Chem. Inf. Model..

Development of a Fingerprint Reduction Approach for Bayesian Similarity Searching Based on Kullback-Leibler Divergence Analysis

Jürgen Bajorath, Britta Nisius, Martin Vogt, 2009, J. Chem. Inf. Model..

Information entropic functions for molecular descriptor profiling.

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2012, Methods in molecular biology.

Fragment Shuffling: An Automated Workflow for Three-Dimensional Fragment-Based Ligand Design

Britta Nisius, Ulrich Rester, 2009, J. Chem. Inf. Model..

Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2010, J. Chem. Inf. Model..

Similarity-Based Classifier Using Topomers to Provide a Knowledge Base for hERG Channel Inhibition

Britta Nisius, Andreas H. Göller, Britta Nisius, 2009, J. Chem. Inf. Model..

Correction to Identification of Descriptors Capturing Compound Class-Specific Features by Mutual Information Analysis

Anne Mai Wassermann, Jürgen Bajorath, Britta Nisius, 2011, Journal of Chemical Information and Modeling.

Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling

Jürgen Bajorath, Britta Nisius, Martin Vogt, 2009, Stat. Anal. Data Min..

Predicting the similarity search performance of fingerprints and their combination with molecular property descriptors using probabilistic and information theoretic modeling

Jürgen Bajorath, Britta Nisius, Martin Vogt, 2009 .

Mapping of pharmacological space

Jürgen Bajorath, Britta Nisius, J. Bajorath, 2011, Expert opinion on drug discovery.

Molecular Fingerprint Recombination: Generating Hybrid Fingerprints for Similarity Searching from Different Fingerprint Types

Jürgen Bajorath, Britta Nisius, J. Bajorath, 2009, ChemMedChem.

Reduction and Recombination of Fingerprints of Different Design Increase Compound Recall and the Structural Diversity of Hits

Jürgen Bajorath, Britta Nisius, J. Bajorath, 2010, Chemical biology & drug design.