Dagmar Stumpfe

Publication Activity (10 Years)

Years Active: 2009-2020
Publications (10 Years): 4

Top Topics

Lessons Learned

Cancer Treatment

Topology Preserving

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Dagmar Stumpfe, Jürgen Bajorath
Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening. J. Chem. Inf. Model. 60 (9) (2020)
Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath
Advances in exploring activity cliffs. J. Comput. Aided Mol. Des. 34 (9) (2020)
J. Jesús Naveja, Dagmar Stumpfe, José L. Medina-Franco, Jürgen Bajorath
Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis. J. Chem. Inf. Model. 59 (6) (2019)
Martin Vogt, Dagmar Stumpfe, Gerald M. Maggiora, Jürgen Bajorath
Lessons learned from the design of chemical space networks and opportunities for new applications. J. Comput. Aided Mol. Des. 30 (3) (2016)
Ye Hu, Norbert Furtmann, Dagmar Stumpfe, Jürgen Bajorath
Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry. F1000Research 4 (2015)
Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli
Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome. J. Chem. Inf. Model. 55 (3) (2015)
Dagmar Stumpfe, Dilyana Dimova, Jürgen Bajorath
Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds. J. Chem. Inf. Model. 54 (2) (2014)
Dagmar Stumpfe, Dilyana Dimova, Kathrin Heikamp, Jürgen Bajorath
Compound Pathway Model To Capture SAR Progression: Comparison of Activity Cliff-Dependent and -Independent Pathways. J. Chem. Inf. Model. 53 (5) (2013)
Dilyana Dimova, Dagmar Stumpfe, Jürgen Bajorath
Quantifying the Fingerprint Descriptor Dependence of Structure-Activity Relationship Information on a Large Scale. J. Chem. Inf. Model. 53 (9) (2013)
Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs. J. Chem. Inf. Model. 52 (5) (2012)
Dagmar Stumpfe, Jürgen Bajorath
Frequency of Occurrence and Potency Range Distribution of Activity Cliffs in Bioactive Compounds. J. Chem. Inf. Model. 52 (9) (2012)
Ruifang Li, Dagmar Stumpfe, Martin Vogt, Hanna Geppert, Jürgen Bajorath
Development of a Method To Consistently Quantify the Structural Distance between Scaffolds and To Assess Scaffold Hopping Potential. J. Chem. Inf. Model. 51 (10) (2011)
Preeti Iyer, Dagmar Stumpfe, Jürgen Bajorath
Molecular Mechanism-Based Network-like Similarity Graphs Reveal Relationships between Different Types of Receptor Ligands and Structural Changes that Determine Agonistic, Inverse-Agonistic, and Antagonistic Effects. J. Chem. Inf. Model. 51 (6) (2011)
Ye Hu, Dagmar Stumpfe, Jürgen Bajorath
Lessons Learned from Molecular Scaffold Analysis. J. Chem. Inf. Model. 51 (8) (2011)
Dagmar Stumpfe, Jürgen Bajorath
Assessing the Confidence Level of Public Domain Compound Activity Data and the Impact of Alternative Potency Measurements on SAR Analysis. J. Chem. Inf. Model. 51 (12) (2011)
Eugen Lounkine, Dagmar Stumpfe, Jürgen Bajorath
Molecular Formal Concept Analysis for Compound Selectivity Profiling in Biologically Annotated Databases. J. Chem. Inf. Model. 49 (6) (2009)
Hanna Geppert, Jens Humrich, Dagmar Stumpfe, Thomas Gärtner, Jürgen Bajorath
Ligand Prediction from Protein Sequence and Small Molecule Information Using Support Vector Machines and Fingerprint Descriptors. J. Chem. Inf. Model. 49 (4) (2009)