Dagmar Stumpfe

17 papers Journal 17

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