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Computer Scientist, Chemist, Physicist, Mathematician as Principal Scientist - Computational Chemistry

Boehringer Ingelheim

Tasks & responsibilities

  • As a member of interdisciplinary teams you design biologically active compounds and prioritize target compounds.
  • Additionally, you support research projects with state-of-the-art computational chemistry methods.
  • You enhance our method portfolio with newly emerging CompChem methods e.g. from the field of artificial intelligence and/or new chemoinformatic practices.
  • You interact closely with colleagues from Medicinal Chemistry, Structural Research, Screening and Profiling, Screening Logistics as well as Pharmacology and Computational Biology.


  • PhD in computer science, chemistry, physics, mathematics or related discipline
  • Background in small molecule drug discovery and familiarity with pharmacological and medicinal chemistry concepts
  • Excellent knowledge and practical experience with computational chemistry methods, preferably with a focus on chemoinformatics / machine learning
  • Sound knowledge and practical experience with standard computational chemistry software packages in the context of small molecule drug discovery
  • Good programming skills, preferably python; familiarity with Unix/Linux and HPC environments


Job offer | eingetragen am: 17.09.2018

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