Andreas Jahn

Background

  • 2001: Abitur at the Gymnasium am Rosenberg, Oberndorf a.N.
  • Oct. 2002 - Mar. 2008: Studies of Computer Science (Bioinformatics) at the University of Tübingen
  • since April 2008: Research assistant at the Center of Bioinformatics (ZBIT), University of Tübingen
  • 10.11.2008: FIZ CHEMIE Berlin-Preis 2008 for the best diploma thesis.

Research Interests

  • Cheminformatics
  • Machine Learning in Chemo-/Bioinformatics
  • Computational chemistry
  • Ligand-based Virtual Screening

Current Projects

  • JOELib2: A Java based cheminformatics (computational chemistry) library
  • Optimal Assignment Kernels (OAK) for chemical compounds

Awards

  • FIZ CHEMIE Berlin-Preis 2008

Publications

Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner and Andreas Zell
Journal of Cheminformatics, 2009, 1:14
Abstract, PDF, DOI: 10.1186/1758-2946-1-14
Incorporating molecular flexibility into three-dimensional structural kernels
Andreas Jahn
Chemistry Central Journal, 2009, 3(Suppl 1):O11.
Abstract, DOI: 10.1186/1752-153X-3-S1-O11
Two-step hierarchical assignments on molecular graphs
Andreas Jahn, Nikolas Fechner, Georg Hinselmann and Andreas Zell
Chemistry Central Journal, 2009, 3(Suppl 1):P13.
Abstract, DOI: 10.1186/1752-153X-3-S1-P13
Assessing the selectivity of serine proteases inhibitors using structural similarity
Nikolas Fechner, Andreas Jahn, Georg Hinselmann and Andreas Zell
Chemistry Central Journal, 2009, 3(Suppl 1):P10.
Abstract, DOI: 10.1186/1752-153X-3-S1-P10
An extension of the pharmacophore kernel using radial atomtype fingerprints
Georg Hinselmann, Matthias Eckert, Thomas Holder, Andreas Jahn, Nikolas Fechner and Andreas Zell
Chemistry Central Journal, 2009, 3(Suppl 1):P11.
Abstract, DOI: 10.1186/1752-153X-3-S1-P11
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR
Nikolas Fechner, Andreas Jahn, Georg Hinselmann and Andreas Zell
in Journal of Chemical Information and Modeling, 2009, 49 (3), pp 549-560
DOI: 10.1021/ci800329r
Chronic Rat Toxicity Prediction of Chemical Compounds using Kernel Machines
Georg Hinselmann, Andreas Jahn, Nikolas Fechner and Andreas Zell
in Lecture Notes in Computer Science (EvoBIO 2009), 2009, 5483, 25-36
Beyond descriptor vectors: QSAR modelling using structural similarity
Andreas Zell, Georg Hinselmann, Nikolas H. Fechner and Andreas Jahn
Chemistry Central Journal, 2008, 2(Suppl 1):S3.
BibTeX, Abstract, DOI: 10.1186/1752-153X-2-S1-S3

Presentations

Incorporating Molecular Flexibility into three-dimensional Structural Kernels
Jahn, A.; Fechner, N. H.; Hinselmann, G. and Zell, A.
4. German Conference on Chemoinformatics, 09.-11. November 2008, Goslar [pdf]
Beyond Descriptor Vectors: QSAR Modelling with structural similarity measures
Hinselmann, G.; Fechner, N. H.; Jahn, A. and Zell, A.
3. German Conference on Chemoinformatics, 11-13. November 2007, Goslar [pdf, ~14MB including a demo movie]

Poster

Two-Step Hierarchical Assignments on Molecular Graphs
A. Jahn, N. Fechner, G. Hinselmann, A. Zell
presented on the German Conference on Chemoinformatics 2008
Assessing the Selectivity of Serine Proteases Inhibitors using Structural Similarity
N. Fechner, A. Jahn, G. Hinselmann, A. Zell
presented on the German Conference on Chemoinformatics 2008
Extending Pharmacophore Kernels with Radial Fingerprint Environments
G. Hinselmann, M. Eckert, T. Holder, A. Jahn, N. Fechner, A. Zell
presented on the German Conference on Chemoinformatics 2008

Address, Phone, Fax, Email

Eberhard-Karls-Universität Tübingen
Wilhelm-Schickard-Institut für Informatik
Lehrstuhl Rechnerarchitektur
Sand 1
D - 72076 Tübingen
 
Germany

Tel: (+49/0) 7071 / 29 77175
Fax: (+49/0) 7071 / 29 5091
Email: andreas.jahn@uni-tuebingen.de