|
||||||
|
Virtual Computational Chemistry Laboratory | ||||||
|
||||||
|
|
| |||||
| ||||||||||||||||
|
ADME/T methods development (machine learning in bio- chemoinformatics) positions at GSF, Institute for Bioinformatics, Neuherberg (Munich) Germany Virtual Computational Chemistry Laboratory offers free on-line as well as standalone tools for physico-chemical property prediction and machine learning data analysis tools with focus on chemoinformatics and drug discovery studies. In addition to own tools we host and provide free on-line access to a number of programs that were made available to us by our partners in several countries over the world.We are in the GSF - National Center for Environment and Health (Bavaria, Germany), which is located in a very nice green suburb of Munich (ca 20-30 minutes by public transportation to the city center) and it is just about 1.5-2 hour from Bavarian Alps (by car/train). Munich is 3rd largest German city with 1.3 million inhabitants. The city has a lot of tourist attractions, including Oktoberfest, one of the largest public park, Englischer Garten, and the largest in the world technical Deutsche museum. People liking skiing and hiking may find this place as a Paradise for their dreams. Following an award of Go-Bio grant "Development of ADME/T methods using Associative Neural Networks", we have several positions to develop new methods/software tools for prediction of physico-chemical and ADME/T properties of small molecules for drug discovery and environmental studies. The machine-learning methods, particularly Associative Neural Network (see e.g. refs for theory/examples of recent applications) will be used to develop models and to estimate their prediction accuracy and applicability domain. The methods will be developed/validated in a close interaction with the wet laboratory people within the GSF and/or national and international collaborations. We are looking for an outstanding scientist who: is an expert in machine learning algorithms, computer science and has an experience in applications of these methods to small molecules ORhas very good knowledge (degree) in computational/physical/organic chemistry or biochemistryANDis also proficient in programming, including client-user interface development using Java/C/C++, development of Web services and tools.The successful candidate most likely has a recent PhD in a relevant computational chemistry area or/and in machine learning and demonstrated experience in programming. Communication skills and a good team spirit are also of a great importance to be able to contribute to the progress of this project. Exceptionally good PhD students will be also considered. Salary will be according to TV�D scale (previously known as BAT IIa, salary scale for civil servants). The duration of positions is 3 years. Applications, including a short motivation for carrying out this project, a curriculum vitae, list of publications and two references should be sent by e-mail as a pdf or plain text file to Dr. Igor Tetko. Please, do not send word files, since they will be filtered out by our firewall. Please, indicate as the subject "Go-Bio positions". Too many requirements :)? ... OK, we need somebody who likes programming (Java/C++/interface development), knows chemistry and some chemoinformatics/machine learning methods. The first and at least one of the two last qualities are absolutely required! The position is available immediately. Please apply! References (see also selected publications)
|
 |
||||||
|
|
||||||||
|
|
||||||||
|
|
||||||||
|
|
 |
|
|
||
|
Copyright 2001 -- 2026 https://vcclab.org. All rights reserved. |
||
|
|
|
||
|
|
|
||
|
 |
 |
|
|
|
|
|
|
|
|
|
 |
|
|
|
|
|
|
|
|
|
