Dagmar Stumpfe

According to our database, Dagmar Stumpfe authored at least 23 papers between 2009 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

Metacores.

Dagmar Stumpfe, Alexander Hoch, Jürgen Bajorath

Dataset, April, 2021

2020

Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity.

Christian Feldmann, Dimitar G. Yonchev, Dagmar Stumpfe, Jürgen Bajorath

Dataset, November, 2020

Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening.

Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2020

Advances in exploring activity cliffs.

Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath

J. Comput. Aided Mol. Des., 2020

2019

Exploration of Target Synergy in Cancer Treatment by Cell-Based Screening Assay and Network Propagation Analysis.

J. Jesús Naveja, Dagmar Stumpfe, José L. Medina-Franco, Jürgen Bajorath

J. Chem. Inf. Model., 2019

2018

Target set-dependent activity cliffs.

Huabin Hu, Dagmar Stumpfe, Jürgen Bajorath

Dataset, September, 2018

2017

Compounds with multi-target activity from X-ray structures, corresponding analog series, and associated scaffolds.

Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath

Dataset, December, 2017

Analog Series of Compounds with High Frequency of Activity in Screening Assays.

Dagmar Stumpfe, Erik Gilberg, Jürgen Bajorath

Dataset, November, 2017

Analog Series of Compounds with High Frequency of Activity in Screening Assays.

Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath

Dataset, November, 2017

2016

Lessons learned from the design of chemical space networks and opportunities for new applications.

Martin Vogt, Dagmar Stumpfe, Gerald M. Maggiora, Jürgen Bajorath

J. Comput. Aided Mol. Des., 2016

2015

Computational Polypharmacology Analysis of the Heat Shock Protein 90 Interactome.

Andrew Anighoro, Dagmar Stumpfe, Kathrin Heikamp, Kristin Beebe, Leonard M. Neckers, Jürgen Bajorath, Giulio Rastelli

J. Chem. Inf. Model., 2015

Comprehensive knowledge base of two- and three-dimensional activity cliffs for medicinal and computational chemistry.

Ye Hu, Norbert Furtmann, Dagmar Stumpfe, Jürgen Bajorath

F1000Research, 2015

2014

Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds.

Dagmar Stumpfe, Dilyana Dimova, Jürgen Bajorath

J. Chem. Inf. Model., 2014

2013

Compound Pathway Model To Capture SAR Progression: Comparison of Activity Cliff-Dependent and -Independent Pathways.

Dagmar Stumpfe, Dilyana Dimova, Kathrin Heikamp, Jürgen Bajorath

J. Chem. Inf. Model., 2013

Quantifying the Fingerprint Descriptor Dependence of Structure-Activity Relationship Information on a Large Scale.

Dilyana Dimova, Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2013

2012

Frequency of Occurrence and Potency Range Distribution of Activity Cliffs in Bioactive Compounds.

Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2012

MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs.

Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2012

2011

Assessing the Confidence Level of Public Domain Compound Activity Data and the Impact of Alternative Potency Measurements on SAR Analysis.

Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 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, Hanna Geppert, Jürgen Bajorath

J. Chem. Inf. Model., 2011

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.

Preeti Iyer, Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2011

Lessons Learned from Molecular Scaffold Analysis.

Ye Hu, Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2011

2009

Molecular Formal Concept Analysis for Compound Selectivity Profiling in Biologically Annotated Databases.

Eugen Lounkine, Dagmar Stumpfe, Jürgen Bajorath

J. Chem. Inf. Model., 2009

Ligand Prediction from Protein Sequence and Small Molecule Information Using Support Vector Machines and Fingerprint Descriptors.

Hanna Geppert, Jens Humrich, Dagmar Stumpfe, Thomas Gärtner, Jürgen Bajorath

J. Chem. Inf. Model., 2009