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ORCIDDagmar Stumpfe
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2020 – today
- 2021
[d6]Dagmar Stumpfe, Alexander Hoch
, Jürgen Bajorath:
Metacores. Zenodo, 2021
- 2020
- [j16]Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath:
Advances in exploring activity cliffs. J. Comput. Aided Mol. Des. 34(9): 929-942 (2020) - [j15]Dagmar Stumpfe, Jürgen Bajorath:
Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening. J. Chem. Inf. Model. 60(9): 4112-4115 (2020) - [d5]Christian Feldmann, Dimitar G. Yonchev, Dagmar Stumpfe, Jürgen Bajorath:
Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity. Zenodo, 2020
2010 – 2019
- 2019
- [j14]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): 3072-3079 (2019) - 2018
- [d4]Huabin Hu, Dagmar Stumpfe, Jürgen Bajorath:
Target set-dependent activity cliffs. Zenodo, 2018 - 2017
- [d3]Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath:
Analog Series of Compounds with High Frequency of Activity in Screening Assays. Zenodo, 2017 - [d2]Erik Gilberg, Dagmar Stumpfe, Jürgen Bajorath:
Compounds with multi-target activity from X-ray structures, corresponding analog series, and associated scaffolds. Zenodo, 2017 - [d1]Dagmar Stumpfe, Erik Gilberg, Jürgen Bajorath:
Analog Series of Compounds with High Frequency of Activity in Screening Assays. Zenodo, 2017 - 2016
- [j13]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): 191-208 (2016) - 2015
- [j12]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): 676-686 (2015) - [i1]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: 168 (2015) - 2014
- [j11]Dagmar Stumpfe, Dilyana Dimova, Jürgen Bajorath:
Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds. J. Chem. Inf. Model. 54(2): 451-461 (2014) - 2013
- [j10]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): 1067-1072 (2013) - [j9]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): 2275-2281 (2013) - 2012
- [j8]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): 1138-1145 (2012) - [j7]Dagmar Stumpfe, Jürgen Bajorath:
Frequency of Occurrence and Potency Range Distribution of Activity Cliffs in Bioactive Compounds. J. Chem. Inf. Model. 52(9): 2348-2353 (2012) - 2011
- [j6]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): 1281-1286 (2011) - [j5]Ye Hu, Dagmar Stumpfe, Jürgen Bajorath:
Lessons Learned from Molecular Scaffold Analysis. J. Chem. Inf. Model. 51(8): 1742-1753 (2011) - [j4]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): 2507-2514 (2011) - [j3]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): 3131-3137 (2011)
2000 – 2009
- 2009
- [j2]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): 767-779 (2009) - [j1]Eugen Lounkine, Dagmar Stumpfe, Jürgen Bajorath:
Molecular Formal Concept Analysis for Compound Selectivity Profiling in Biologically Annotated Databases. J. Chem. Inf. Model. 49(6): 1359-1368 (2009)
Coauthor Index
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