Principal Scientist

Boehringer Ingelheim GmbH; Biberach an der Riß; Vor Ort; EUR 110.000 - 165.000; Vollzeit

Benefits dieser Stelle

Comprehensive benefits and wellbeing

Disability-inclusive recruitment

Zusammenfassung

Boehringer Ingelheim GmbH is seeking a senior computational scientist to advance state-of-the-art methods in molecular AI/ML and structure-based drug design. You will work with medicinal chemists, software engineers, and data scientists to identify novel lead compounds and translate computational insights into actionable strategies.

The role emphasizes collaboration across teams, mentoring junior researchers, and deploying scalable computational workflows within our digital ecosystem.

Qualifikationen

• PhD in Computer Science, Chemistry, Physics, Mathematics, or related quantitative field.
• Several years of experience applying computational approaches to drug discovery in pharma/biotech.
• Strong expertise in ML, AI, and data science methods for chemical data.
• Knowledge in molecular property prediction, foundation models for molecular data, generative design, or structure-based modeling.
• Proficiency in Python-based scientific computing and cheminformatics tools such as RDKit.
• Experience with collaborative software engineering practices (version control, testing, CI/CD).
• Creative, collaborative mindset with excellent communication across multidisciplinary teams.

Aufgaben

• Identify, develop, validate, and advance state-of-the-art computational methods in molecular AI/ML and structure-based design.
• Drive application of computational approaches to discovery and optimization of lead compounds.
• Partner with medicinal chemists and project teams to understand scientific needs and priorities.
• Communicate model outputs and limitations and translate insights into actions.
• Collaborate with engineers and data scientists to deploy scalable workflows in our digital ecosystem.
• Mentor postdocs and scientists and manage internal/external collaborations.

Kenntnisse

ML & data science

Python programming

RDKit cheminformatics

Cross-functional collaboration

Scientific communication

Ausbildung

PhD in a quantitative field

Tools

RDKit

CI/CD tooling

Git & version control

Jobbeschreibung

Shape the future of drug discovery through scientific innovation and collaboration.

Join a highly innovative environment where cutting-edge science, advanced technologies, and multidisciplinary teamwork come together to address some of the most challenging questions in pharmaceutical research. This is a unique opportunity to contribute your expertise, influence scientific strategies, foster collaboration across global teams, and help drive breakthroughs that have the potential to improve patients' lives worldwide.

Tasks & responsibilities

• In your new role, you will identify, develop, validate, and advance state-of-the-art computational methods in molecular AI/ML, cheminformatics, and structure-based drug design.
• You will drive the application of these innovative computational approaches to support the discovery and optimization of novel lead compounds.
• Furthermore, you will partner closely with medicinal chemists, computational scientists, and multidisciplinary project teams to understand scientific needs and priorities.
• You will communicate model outputs and limitations effectively and translate computational insights into actionable recommendations.
• Moreover, you will collaborate with software engineers, data scientists, and other partners to develop and deploy scalable computational workflows for molecular design, synthesis planning, and decision support, integrating them into our digital ecosystem.
• Finally, you will mentor postdoctoral researchers and scientists, and establish, lead, and supervise internal and external scientific collaborations.

Requirements

• PhD in Computer Science, Chemistry, Physics, Mathematics, or a related quantitative discipline
• Several years of experience applying computational approaches to drug discovery within the pharmaceutical, biotechnology, or related life sciences industry
• Strong expertise in machine learning, artificial intelligence, and data science methodologies to chemical data
• Demonstrated knowledge in one or more of the following areas: molecular property prediction, foundation models for molecular data, generative molecular design, reaction prediction, structure-based modeling, or agentic AI for scientific discovery
• Proven proficiency in Python-based scientific computing, machine learning frameworks, and cheminformatics tools such as RDKit
• Experience with collaborative software engineering best practices, including version control, testing, and CI/CD workflows
• Creative, collaborative, and proactive mindset, with excellent communication and stakeholder-management skills and a demonstrated ability to influence and work effectively across multidisciplinary teams

As part of our commitment to transparency and fairness, salary information will be shared during the recruitment process.

• We also offer a comprehensive benefits and wellbeing package.

Applications from persons with severe disabilities are warmly welcomed. In cases of equal qualifications, such applicants will be given preferential consideration in the selection process.

Ready to contact us?

If you have any questions about the job posting or process - please contact our HR Direct Team, Tel: [phone] or via mail: [e-mail]