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Joerg Kurt Wegner, PhD's Publications

Senior Scientist , Janssen
Mechelen, Belgium

Research field: Chemistry
proteases, polymerases, drug design, structural biology, structure-based drug design, high throughput screening, fragment based screening, homology modelling, data mining, quantitative structure activity relationship, innovation, collaboration, social sof
Patent (2) | Web Page (2) | Book Section (2) | Journal Article (18)

Journal Article

Gerard J P van Westen, Alwin Hendriks, Jörg K Wegner, Adriaan P Ijzerman, Herman W T van Vlijmen, Andreas Bender (2013) Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data., e1002899. In PLoS computational biology 9 (2).
Joerg Kurt Wegner, Egon Willighagen, Aaron Sterling, Rajarshi Guha, Andreas Bender, Jean-Loup Faulon, Janna Hastings, Noel O'Boyle, John Overington, Herman Van Vlijmen (2012) Cheminformatics, 65. In Communications of the ACM 55 (11).
Gerard J P van Westen, Olaf O van den Hoven, Rianne van der Pijl, Thea Mulder-Krieger, Henk de Vries, Jörg K Wegner, Adriaan P Ijzerman, Herman W T van Vlijmen, Andreas Bender (2012) Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data.. In Journal of medicinal chemistry.
Eelke van der Horst, Julio E Peironcely, Gerard J P van Westen, Olaf O van den Hoven, Warren R J D Galloway, David R Spring, Joerg K Wegner, Herman W T van Vlijmen, Ad P Ijzerman, John P Overington, Andreas Bender (2011) Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space.. In Current topics in medicinal chemistry.
Konrad Hohlfeld, Cyrille Tomassi, Jörg Kurt Wegner, Bart Kesteleyn, Bruno Linclau (2011) Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors, 110331084744067. In ACS Medicinal Chemistry Letters.
Gerard J. P. van Westen, Jörg K. Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen, A. Bender (2011) Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets. In MedChemComm.
Gerard J. P. van Westen, Jörg K. Wegner, Peggy Geluykens, Leen Kwanten, Inge Vereycken, Anik Peeters, Adriaan P. IJzerman, Herman W. T. van Vlijmen, Andreas Bender (2011) Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development, e27518. In PLoS ONE 6 (11).
Gerard J P van Westen, Jörg K Wegner, Andreas Bender, Adriaan P Ijzerman, Herman W T van Vlijmen (2010) Mining protein dynamics from Sets of crystal structures using 'Consensus Structures'. In Protein science : a publication of the Protein Society.
Ewgenij Proschak, Jörg K Wegner, Andreas Schüller, Gisbert Schneider, Uli Fechner (2007) Molecular query language (MQL)--a context-free grammar for substructure matching., 295-301. In Journal of chemical information and modeling 47 (2).
Dimitris K Agrafiotis, Deepak Bandyopadhyay, Jörg K Wegner, Herman van Vlijmen (2007) Recent advances in chemoinformatics., 1279-93. In Journal of chemical information and modeling 47 (4).
Jörg K. Wegner, Holger Fröhlich, Holger M. Mielenz, Andreas Zell (2006) Data and Graph Mining in Chemical Space for ADME and Activity Data Sets, 205-220. In QSAR & Combinatorial Science 25 (3).
Holger Fröhlich, Jörg. K. Wegner, Florian Sieker, Andreas Zell (2006) Kernel Functions for Attributed Molecular Graphs – A New Similarity-Based Approach to ADME Prediction in Classification and Regression, 317-326. In QSAR & Combinatorial Science 25 (4).
Rajarshi Guha, Michael T Howard, Geoffrey R Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg Wegner, Egon L Willighagen (2006) The Blue Obelisk-interoperability in chemical informatics., 991-8. In Journal of chemical information and modeling 46 (3).
Jörg K Wegner, Holger Fröhlich, Andreas Zell (2004) Feature selection for descriptor based classification models. 1. Theory and GA-SEC algorithm., 921-30. In Journal of chemical information and computer sciences 44 (3).
Jörg K Wegner, Holger Fröhlich, Andreas Zell (2004) Feature selection for descriptor based classification models. 2. Human intestinal absorption (HIA)., 931-9. In Journal of chemical information and computer sciences 44 (3).
Holger Fröhlich, Jörg K. Wegner, Andreas Zell (2004) Towards Optimal Descriptor Subset Selection with Support Vector Machines in Classification and Regression, 311-318. In QSAR & Combinatorial Science 23 (5).
Jörg K Wegner, Andreas Zell (2003) Prediction of aqueous solubility and partition coefficient optimized by a genetic algorithm based descriptor selection method., 1077-84. In Journal of chemical information and computer sciences 43 (3).
S F Badreddin Abolmaali, Jörg K Wegner, Andreas Zell (2003) The compressed feature matrix--a fast method for feature based substructure search., 235-41. In Journal of molecular modeling 9 (4).