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PhD in AI-assisted Medicinal Chemistry

PhD in AI-assisted Medicinal Chemistry

Biomedical Engineering
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Job description

In the last few years, artificial intelligence (AI) has been driving progress in a multitude of tasks, e.g., predict chemical reactions and protein folding, and design novel bioactive molecules. AI is still in its infancy in the natural sciences, and its potential must be untapped in a timely and interdisciplinary way.

The Molecular Machine Learning lab (Chemical Biology group) is searching for a PhD candidate to join the team, and work at the interface between chemical biology and artificial intelligence. The research team is led by Dr. Francesca Grisoni, an Assistant Professor at the Dept. of Biomedical Engineering. We offer an interdisciplinary and international environment, with opportunities to collaborate with domain specialists within TU/e, as well as international researchers. The team is oriented towards developing novel AI tools and approaches to help answer key questions about the biological functions of small molecules and peptides, and to design innovative molecules with desired biological functions.

Job Description

The PhD position will be dedicated to addressing challenges in Medicinal Chemistry with the aid of AI tools. The research project will be focused on designing and discovering novel molecules that interact with pharmacologically relevant macromolecular targets, by using state-of-the-art as well as innovative machine learning technologies. The project will have a highly interdisciplinary basis and collaborations with other specialists, e.g., for compound testing and synthesis.

If you are fascinated by interdisciplinary research and the application of AI to real-world challenges, this position might be for you! Ideally, you have a collaborative and proactive mentality, with a good knowledge of several chemistry and biology concepts. You are at ease with interdisciplinary and out-of-the-box thinking. You are willing to work alongside other specialists, as well as to acquire novel computational skills and apply them to medicinal chemistry questions.

Job requirements

  • A master’s degree (or an equivalent university degree) in biology, chemistry, pharmaceutical sciences, biochemical/biomedical engineering, natural sciences, or related disciplines.
  • Basics of Python or other programming languages.
  • Basic knowledge of statistics and mathematics.
  • Previous experience with machine learning (desirable).
  • A research-oriented and curiosity-driven attitude.
  • Ability to work in a team and interested in interdisciplinary collaborations.
  • Fluent in spoken and written English.

Conditions of employment

  • A meaningful job in a dynamic and ambitious university with the possibility to present your work at international conferences.
  • A full-time employment for four years, with an intermediate evaluation after one year.
  • To support you during your PhD and to prepare you for the rest of your career, you will have free access to a personal development program for PhD students (PROOF program).
  • A gross monthly salary and benefits in accordance with the Collective Labor Agreement for Dutch Universities.
  • Additionally, an annual holiday allowance of 8% of the yearly salary, plus a year-end allowance of 8.3% of the annual salary.
  • A broad package of fringe benefits, including an excellent technical infrastructure, moving expenses, and savings schemes.
  • Family-friendly initiatives are in place, such as an international spouse program, and excellent on-campus children day care and sports facilities.

Information and application

More information

If you recognize yourself in this profile and would like to know more, please contact
dr. Francesca Grisoni at f.grisoni[at]

For information about terms of employment, please contact Sascha Sanchez,
HR advisor, s.j.m.g.sanchez.van.oort[at] or +31 40 247 73 10.

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We invite you to submit a complete application by using the 'apply now'-button on this page.
The application should include a:

  • Cover letter in which you describe your motivation and qualifications for the position.
  • Curriculum vitae, including a list of your publications (if any) and the contact information of two to three references.
  • Brief description of your MSc thesis and other relevant projects.

We look forward to your application and will screen it as soon as we have received it. Screening will continue until the position has been filled.

We do not respond to applications that are sent to us in a different way.

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