45,000 students and 8,000 employees in teaching, research and administration, all working together to shape perspectives for the future – that is the University of Münster (WWU). Embedded in the vibrant atmosphere of Münster with its high standard of living, the University’s diverse research profile and attractive study programmes draw students and researchers throughout Germany and from around the world.

The Institute of Pharmaceutical and Medicinal Chemistry in the Faculty of Chemistry and Pharmacy at the University of Münster (WWU), Germany, is seeking to fill the position of a


Doctoral Research Associate

Wissenschaftliche/r Mitarbeiter/in
(salary level TV-L E 13, 65%)


commencing on 01 June 2022 at the earliest. We are offering a fixed-term part-time position (65%) for 3 years, representing a fully funded PhD position in Germany.

Your tasks:
This position is part of a third-party funded priority programm “Molecular Machine Learning” ( The programme aims at connecting communities from the fields of machine learning and data science with scientists working in the areas of molecular chemistry and pharmacology. The specific project will continue our neural fingerprints approach as a new molecular representation suitable for virtual screening approaches ( The candidate will work on this project closely together with another PhD student from a computer science group in Münster.

Within the time frame of this project, a general-purpose activity- and structure-sensitive neural fingerprint should be developed that outperforms standard fingerprints in virtual screening approaches. This will be combined with explainable artificial intelligence that make it possible to understand the structural features that are important for molecular similarity.
The candidate will gain comprehensive insight into the application of machine learning/AI, cheminformatics, and molecular design of new bioactive compounds. All these methods are important parts of the drug discovery process and are regularly applied in industrial pharmaceutical research.

This position is tied to working towards a doctorate.

Our expectations:

  • An excellent university degree in pharmacy, chemistry, cheminformatics, drug design, computational life sciences, or a comparable university degree is required.
  • Great interest in drug discovery and the application of computational methods including cheminformatics and machine learning methods are required.
  • Experience with cheminformatics, and machine learning/AI is desirable.
  • Excellent written and spoken English is required.
  • German language skills are not a requirement but a willingness to learn would be desirable.

Working environment
The working group for computational medicinal chemistry and molecular design deals with the development and application of computer-based methods in rational drug design. This includes the application of artificial intelligence and the full range of ligand- and structure-based in silico methods (cheminformatics, virtual screening and rational drug design, docking, homology modelling, and molecular dynamics simulations) generally used in industrial pharmaceutical research. In an interdisciplinary way, the in-silico work is combined with the biochemical evaluation of small molecular compounds and x-ray crystallography.

The University of Münster is an equal opportunity employer and is committed to increasing the proportion of women academics. Consequently, we actively encourage applications by women. Female candidates with equivalent qualifications and academic achievements will be preferentially considered within the framework of the legal possibilities.

The University of Münster is committed to employing more staff with disabilities. Candidates with recognised severe disabilities who have equivalent qualifications are given preference in hiring decisions.

If you have any questions, please contact PD Dr Oliver Koch.

Are you interested? Then we look forward to receiving your application by 06 May 2022. Please send your application with the usual documents as pdf via email to:

Prof. Dr. Oliver Koch
Westfälische Wilhelms-Universität
Institute of Pharmaceutical and Medicinal Chemistry

Correnstrasse 48
48149 Münster
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