Britta Nisius

发表

State-of-the-art in ligand-based virtual screening.

J. Bajorath, Peter Ripphausen, Britta Nisius, 2011, Drug discovery today.

Quo vadis, virtual screening? A comprehensive survey of prospective applications.

J. Bajorath, Lisa Peltason, Peter Ripphausen, 2010, Journal of medicinal chemistry.

Structure-based computational analysis of protein binding sites for function and druggability prediction.

H. Gohlke, Britta Nisius, Fan Sha, 2012, Journal of biotechnology.

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.

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

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

Mapping of pharmacological space

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

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..

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..

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.

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.

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..

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

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

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..

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

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