Kathrin Heikamp

According to our database, Kathrin Heikamp authored at least 10 papers between 2011 and 2015.

Collaborative distances:

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

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

2014

Application and Development of Computational Methods for Ligand-Based Virtual Screening.

Kathrin Heikamp

PhD thesis, 2014

Prediction of Compounds in Different Local Structure-Activity Relationship Environments Using Emerging Chemical Patterns.

Vigneshwaran Namasivayam, Disha Gupta-Ostermann, Jenny Balfer, Kathrin Heikamp, 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

Comparison of Confirmed Inactive and Randomly Selected Compounds as Negative Training Examples in Support Vector Machine-Based Virtual Screening.

Kathrin Heikamp, Jürgen Bajorath

J. Chem. Inf. Model., 2013

Prediction of Compounds with Closely Related Activity Profiles Using Weighted Support Vector Machine Linear Combinations.

Kathrin Heikamp, Jürgen Bajorath

J. Chem. Inf. Model., 2013

2012

Prediction of Activity Cliffs Using Support Vector Machines.

Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath

J. Chem. Inf. Model., 2012

Potency-directed similarity searching using support vector machines.

Kathrin Heikamp, Anne Mai Wassermann, Jürgen Bajorath

J. Cheminformatics, 2012

2011

How Do 2D Fingerprints Detect Structurally Diverse Active Compounds? Revealing Compound Subset-Specific Fingerprint Features through Systematic Selection.

Kathrin Heikamp, Jürgen Bajorath

J. Chem. Inf. Model., 2011

Large-Scale Similarity Search Profiling of ChEMBL Compound Data Sets.

Kathrin Heikamp, Jürgen Bajorath

J. Chem. Inf. Model., 2011