Postdoctoral Researcher: Chemical Data Scientist 2024 views

The Bode group and Synple Chem at ETH Zurich are seeking a Chemical Data Scientist to join the project team. The successful candidate will be supported by and work collaboratively with the groups of Professor Sereina Riniker and Professor Jeffrey Bode. The project will provide the opportunity to be involved with cutting edge research across the fields of organic synthesis, chemistry automation, reaction informatics, and machine learning.

Research topics:

• 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.

Requirements:

• 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.

Applications:

Apply online and application including the following documents:

• Motivation letter
• CV
• Contact details of at least two academic referees