Postdoctoral Researcher, Chemical Data Scientist
Laboratory of Physical Chemistry
Zurich, CH
vor 14 Std.

Job description

The successful candidate will contribute to our development of a system for automating the Design-Make-Test-Analyze cycle in pharmaceutical research.

They will collaborate with synthetic chemists in order to tightly couple the Design and Make phases of the cycle in an automation-friendly way.

Some possible research topics include :

  • Collaborations with synthetic chemists to optimize reaction conditions and generate the data to build effective AI / ML models for predicting whether a particular set of building blocks will work in a reaction.
  • Developing and applying active-learning strategies for reaction optimization and compound design.
  • Developing new systems for capturing, managing, querying, and exploring the experimental data generated during the reaction optimizations computational.
  • Developing efficient pipelines for defining, enumerating, and screening virtual libraries based on the optimized reactions and available building blocks.
  • Developing approaches to allow Design tools to be used together with automated synthesis technology.
  • What does this postdoctoral study offer :

  • Research at the interfaces of several hot fields : AI assisted drug development, virtual screening and automated synthesis.
  • Working collaboratively with both synthetic and computational chemists from two research groups and industry.
  • Applied research project.
  • Your profile

  • Extensive experience with molecular modelling software / Cheminformatics.
  • Extensive experience with software development.
  • Solid understanding of organic chemistry and chemical processes.
  • Experience with modern AI / ML approaches.
  • Understanding of basic automation techniques, databases, and data analysis tools.
  • ETH Zurich

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