Principal Scientist in Computational Chemistry - 181247

Biberach an der Riß, Baden-Württemberg (DE)
February 22 2018
Position Type
Full Time
Organization Type

Principal Scientist in Computational Chemistry - 181247

Boehringer Ingelheim is an equal opportunity global employer who takes pride in maintaining a diverse and inclusive culture. We embrace diversity of perspectives and strive for an inclusive environment which benefits our employees, patients and communities. 

Are you a data scientist with a strong background in machine learning and computational chemistry? Do you consider yourself a creative, enthusiastic and highly skilled scientist, who enjoys team work? Are you looking forward to identifying the next wave of First in Class drugs that could dramatically change the way we treat patients?

Tasks & responsibilities

  • As a principal scientist you use and adapt machine learning / deep learning methods to enhance our NCE artificial intelligence and eDesign molecular design platforms.
  • In collaboration with colleagues from Computational Chemistry, Medicinal Chemistry and IT, you co-develop the next generation of molecular design tools.
  • As a member of interdisciplinary teams you support research projects with computational chemistry methods.
  • 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
  • Excellent knowledge and practical experience with machine learning approaches, preferably deep learning
  • Sound knowledge of computational chemistry methods with a focus on cheminformatics
  • Familiarity with pharmacological and medicinal chemistry concepts
  • Strong programming skills, preferably python
  • Familiarity with machine-learning, data science and cheminformatics tool kits (scikit-learn, keras, tensorflow, pandas, rdkit)
  • Familiarity with Unix/Linux and HPC environments
  • Excellent communication skills in English and good interpersonal skills

About us

Innovative medicines for people and animals have for more than 130 years been what the research-driven pharmaceutical company Boehringer Ingelheim stands for. Boehringer Ingelheim is one of the pharmaceutical industry’s top 20 companies and to this day remains family-owned. Day by day, some 50,000 employees create value through innovation for the three business areas human pharmaceuticals, animal health and biopharmaceutical contract manufacturing. In 2016, Boehringer Ingelheim achieved net sales of around 15.9 billion euros. With more than three billion euros, R&D expenditure corresponds to 19.6 per cent of net sales.


For further information please contact Recruiting Services: Mrs. Yue Pan, Tel: +49 (0) 7351 54 188546
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