e-mail: me@joergkurtwegner.de, skype: joergkurtwegner
www.joergkurtwegner.de, linkedin: joergkurtwegner

 

 

 1974/07/01

 

Date of Birth

 

 

 

Villingen-Schwenningen, district Schwenningen

 

Place of Birth

 

 

 

married

 

Marital Status

willing to relocate

 

 

willing to travel

 

 

 

 

 

On request

 

Residence

 

 

 

German

 

Nationality

 

 

 

Postdoc, Research&Development, Scientist

 

Position

Cheminformatics/Molecular Modelling

 

Field of Work


 

C u r r i c u l u m  V i t a e

 

Professional Experience

 

 

 

 

 

Tibotec BVBA (Johnson&Johnson)

 

 

 

Mechelen, Belgium

 

 

 

Scientist in the field of

molecular modelling, cheminformatics, drug resistance,
structure-based drug design, lead optimization,
library enrichment
fragment-based drug design,
IT-business expert group
Targets: viral proteases and polymerases

 

since 10.2005

 

 

 

 

 

ALTANA Pharma A.G.

 

 

 

Tübingen-Konstanz, Germany

 

 

 

in the research area virtual screening,
QSAR (ADME),
coding of molecules (
algorithm, information theory),
and global optimization (library design)

 

2003/01-2005/06

 

 

 

 

 

SOL project, bmb+f, Reference number 311681

 

 

 

SOL, Search and Optimization of Lead Structures
responsible for the interface and algorithm development
for three industrial and two academic partners

 

2001/01-2002/12

 

 

 

 

 

Cheminformatics (coding of molecules)

 

 

 

JOELib-Cheminformatics-Library

http://sourceforge.net/projects/joelib

 

2001-2006

 

 

 

 

 

 

 

Reviewer activities

 

Journal of Chemical Information and Modeling (JCIM)

 

 

 

Chemical Biology & Drug Design (CBDD)

 

 

 

       

 

  Editorial activities  

ChemSpider journal of chemistry

     
       

 

 

Advisory boards

 

ChemSpider community

 

 

 

 

C u r r i c u l u m  V i t a e

 

Education

 

 

 

 

 

 

 

 

 

Tibotec BVBA

 

2005/10-2007/10

 

Mechelen, Belgium

 

 

 

PostDoc Research&Development

Molecular Modelling and Cheminformatics

 

 

 

 

 

 

 

Eberhard Karls University

 

 2001/03-2006/06

 

Tübingen, Germany

 

 

 

Promotion
at the Center for Bioinformatics Tübingen (ZBIT)

 

 

 

Major responsibilities: Cheminformatics, algorithms,
data/graph mining for ADME,
and
and global optimization (library design)
Teaching: structure-based drug design, mining (ADME),
machine learning

 

 

 

 

 

 

 

Friedrich Alexander University

 

 2000/08-2001/02

 

Erlangen, Germany

 

 

 

Diploma thesis in the group of Prof. Gasteiger
(and
Prof. Gauglitz, Tübingen)

 

 

 

 

 

 

 

Eberhard Karls University

 

 1995/10-2001/02

 

Tübingen, Germany

 

 

 

Diploma in chemistry

 

 

 

Chemistry studies with computer science as minor field of study

 

 

 

 

 

 

 

Gymnasium - technical orientation

 

 

 

VS-Schwenningen, Germany

 

 

 

general qualification for university entrance
(allgemeine Hochschulreife)

 

1994/06/14

 


 

P r o f i l e

 

 

 

 

 

 

 

A d d i t i o n a l  S k i l l s

 

Foreign Languages

 

 

 

 

 

Fluent in written and business fluent spoken

 

English

 

Mother tongue

 

German

 

Beginner

 

Dutch

 

 

 

 

 

 

 

Rhetoric

 

Multiple applied rhetoric courses
Giving an opinion and scientific lecture

 

 

 

     

 

 

 

Organisation

 

Solely responsible for the supervision and subject assignment
for one diploma thesis,
six student research projects,
and two student assistants
in the domain Cheminformatics and software engineering

 


2 Years
3 Years
4 Years

 

Solely responsible for a practical course and seminars
in the working field
cheminformatics, drug design, and
Data/Graph Mining

 

5 Years

 

     

 

 

 

Administration

 

Project administrator of the Cheminformatics-Library JOELib

http://sourceforge.net/projects/joelib

 

2001-2006

 

Founding member of the Blue Obelisk community
http://www.blueobelisk.org

  since 2005  
       

 

 

A d d i t i o n a l  S k i l l s

 

 

 

 

 

 

 

 

 

Software

 

ICM (Molsoft), Molecular Operating Environment (MOE),
Maestro (Schrodinger),
Pipeline Pilot,
CHARMM, Modeller, Insight (Accelrys)

 

since 2005

 

Python

  3 Years  

Java

 

> 10 years

 

C++, Weka, Matlab

 

4 Years

 

     

 

Object-oriented metrics, design patterns

 

Design

 

 

 

Maintenance/Documentation

 

XWiki and MediaWiki,
Collaborative software development (
SourceForge)
DocBook (SGML, XML)

 

 

 

Microsoft Office, MindMapping
Linux, Windows, Cygwin, VMWare

 

Applications/OS

 

 

A w a r d s

 

 

 

 

 

[i]lab Award - the sanofi-aventis group

 

2005

Johnson & Johnson encore award

  2006, 2007

 

P r o f e s s i o n a l  S o c i e t i e s  a n d
  M e m b e r s h i p s

 

 

 

 

 

Gesellschaft Deutscher Chemiker (GDCh)
Member of the section Chemistry-Information-Computer (CIC)

 

Chemistry

Gesellschaft f?r Informatik (GI)

 

Computer Science

 

P r i v a t e  I n t e r e s t s

 

 

 

 

 

Fitness and social networking (social software)

 

 


 

R e f e r e n c e s

 

 

 

 

 

 

 

On request

 

 

 

 

P A T E N T S

 

 

 

 

 

 

 

Patent

 

Journal/Conference

 

J. K. Wegner*, C. Boutton, H. v. Vlijmen
Phenotype prediction metho
d

 

05.06.2008

PCT/EP2007/063047                

WO/2008/065180

 

 

P u b l i c a t i o n s

 

 

 

 

 

 

 

Article

 

Journal/Conference

 

D. K. Agrafiotis*, D. Bandyopadhyay, J. K. Wegner, H. van Vlijmen
Recent Advances in Chemoinformatics

 

J. Chem. Inf. Mod.,
2007, 47, 1279-1293
DOI: 10.1021/ci700059g

 

E. Proschak*, J. K. Wegner, A. Schöller, G. Schneider, U. Fechner
Molecular Query Langage (MQL) -
A context-free grammar for substructure matching

 

J. Chem. Inf. Mod.,
2006, 46, 295-301
DOI: 10.1021/ci600305h

 

R. Guha, M.T. Howard, G. R. Hutchison, P. Murray-Rust, H. Rzepa, C. Steinbeck*, J. K. Wegner, E. L. Willighagen
The Blue Obelisk-Interoperability in Chemical Informatics

 

J. Chem. Inf. Mod.,
2006, 46, 991-998
DOI: 10.1021/ci050400b

 

J. K. Wegner*, H. Fröhlich, H. Mielenz, A. Zell,
Data and Graph Mining in Chemical Space for
ADME and Activity Data Sets

 

QSAR Comb. Sci.,
2006, 25, 205-220
DOI: 10.1002/qsar.200510009

 

H. Fröhlich*, J. K. Wegner, F. Sieker, A. Zell,
Kernel Functions for Attributed Molecular Graphs -
A New Similarity Based Approach To ADME Prediction in Classification and Regression

 

QSAR Comb. Sci.,
2006, 25, 317-326
DOI: 10.1002/qsar.200510135

 

H. Fröhlich*, J. K. Wegner, F. Sieker, A. Zell,
Optimal Assignment Kernels For Attributed Molecular Graphs

 

ICML 2005,
Bonn, Germany, 225-232

PDF

 

H. Fröhlich*, J. K. Wegner, A. Zell,
Assignment Kernels For Chemical Compounds

 

IJCNN 2005,
Montr?al, Canada, 913-918

PDF

 

H. Fröhlich*, J. K. Wegner, A. Zell,
Towards Optimal Descriptor Subset Selection
with Support Vector Machines in Classification and Regression

 

QSAR Comb. Sci.,
2004, 23, 311-318
DOI: 10.1002/qsar.200410011

 

J. K. Wegner*, H. Fröhlich, A. Zell, Feature selection for Descriptor based Classification Models.
1. Theory and GA-SEC Algorithm

 

J. Chem. Inf. Sci.,
2004
, 44, 921-930
DOI: 10.1021/ci0342324

 

J. K. Wegner*, H. Fröhlich, A. Zell, Feature selection for Descriptor based Classification Models.
2. Human Intestinal Absorption (HIA)

 

J. Chem. Inf. Sci.,
2004, 44, 931-939
DOI: 10.1021/ci034233w

 

J. K. Wegner*, A. Zell, Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method

 

J. Chem. Inf. Sci.,
2003, 43, 1077-1084
DOI: 10.1021/ci034006u

 

S.F.B. Abolmaali*, J. K. Wegner, A. Zell,
The Compressed Feature Matrix -
A fast method for feature based substructure search

 

J. Mol. Mod.,
2003
, 9, 235-241
DOI: 10.1007/s00894-003-0126-0