Head of Machine Learning Research

At Bayer, we're visionaries driven to solve the world's toughest challenges and strive for a world where 'Health for all, Hunger for none' is a reality.

We are seeking a scientific and technical leader to advance machine learning–enabled molecular design across our drug discovery portfolio. As a member of the Data Science & AI leadership team, you will define and deliver the models, platforms, and ways of working that shorten design–make–test–analyze cycles and improve the quality of molecules progressing toward nomination.

Responsibilities:

• Co-own the vision, roadmap, and investment case for ML-driven molecule design and multi-parameter optimization across small molecules and emerging modalities.
• Make build/buy/partner decisions across generative design, property prediction, structure-based ML, and synthesis planning.
• Set the standard for how models are validated, benchmarked prospectively, and retired.
• Partner with Drug Discovery Sciences to embed ML into live programs from hit identification through candidate nomination.
• Co-own program-level design goals with chemistry leads.
• Drive active learning and closed-loop DMTA cycles.
• Ensure models are delivered as reliable, supported products that chemists actually use.
• Direct development of core capabilities.
• Work with data engineering to secure the assay, structural, and DMTA data foundation.
• Establish MLOps practice.
• Build, lead, and develop a team of approximately 25 spanning ML research, computational chemistry, and ML engineering.
• Own budget, vendor relationships, and external collaborations.
• Represent the function to R&D leadership.

Requirements:

• PhD in computational chemistry, cheminformatics, structural biology, biophysics, computer science, or a related field.
• Deep, current expertise across modern ML for molecules.
• Working command of the discovery domain.
• Demonstrated impact on real programs.
• Proven ability to partner with medicinal chemists and structural biologists.
• Track record of delivering software or models into production use.

Preferred Qualifications:

• 12+ years of relevant experience.
• Experience with modalities beyond conventional small molecules.
• Familiarity with lab automation.
• Experience evaluating or deploying large-scale pretrained models.
• Prior experience in a large matrixed pharma R&D organization.

Benefits:

• Salary between $177,400.00 - $266,200.00.
• Additional compensation may include a bonus or commission.
• Health care, vision, dental, retirement, PTO, sick leave, etc.