Connectionists: Jobs in Munich: Chemoinformatics, machine learning

[Igor V. Tetko]

Dear colleagues:

Bio-/chemoinformatics machine learning positions at the GSF -- 
National Center for Environment and Health, Institute for 
Bioinformatics, Neuherberg (Munich) Germany

Following an award of "Development of ADME/T methods using 
Associative Neural Networks (ASNN)" grant we have several positions 
to develop methods for prediction of physico-chemical and ADME/T 
(Absorption, Distribution, Metabolism, Excretion and Toxicology) 
properties of small molecules for drug discovery and environmental 
studies. The approaches will be developed/validated in a close 
interaction with the wet laboratory scientists from the GSF, 
Helmholtz network and other (inter)national centers.

Subgoals of the project are to develop new methods to estimate bias 
and confidence of model predictions (e.g., to distinguish reliable vs 
non-reliable predictions), to improve accuracy of predictions by 
exploring different representations of molecules (kernel methods vs 
vector of descriptors) and to interpret the calculated results to the 
end users (chemists/biologists). Some of these ideas have been used 
within the ASNN and will be further developed.

We are looking for outstanding scientists (postdocs, but exceptional 
PhD students will be also considered)  who are expert in machine 
learning and computer science and have an experience in application 
of machine learning methods to small molecules (ideally MSc in 
physical chemistry/biochemistry and PhD in machine learning/computer 
science). The applicants should be also proficient in programming 
using Java/C++, design of Web services and tools, client-user 
interface development, data visualization and be ready to work on 
these tasks as a part of their employment.

See:
Methodological article: http://cogprints.org/1441
Job application details:  http://www.vcclab.org/jobs.html
Further information about the grant: 
http://www.gsf.de/neu/Aktuelles/Presse/2006/gobio.php

-- 
Dr. Igor V. Tetko
GSF - National Research Centre for Environment and Health
Institute for Bioinformatics
Ingolstaedter Landstrasse 1,
D-85764 Neuherberg, Germany

Tel./Fax: +49-89-3187-3575/x85
e-mail: itetko at vcclab.org, i.tetko at gsf.de

http://www.vcclab.org -- Virtual Computational Chemistry Laboratory:
free on-line calculation of logP/S, CORINA/DRAGON indices, PLS, ASNN, 
PNN and etc.