Principal Scientist: Agentic Cheminformatics & Workflows

Johnson & Johnson Innovative Medicine; Antwerpen; On-site; EUR 105,000 - 180,000; Full time

Job summary

Johnson & Johnson Innovative Medicine seeks a Principal Scientist to lead agent-enabled discovery workflows within In Silico Drug Discovery. Located in Spring House, PA, Cambridge, MA, or Beerse, Belgium, with travel expectations and no remote option.

The role shapes scientific directions, prototypes, and adoption across discovery programs. The candidate will mentor teams, partner with data science and platform engineering, and advance agentic capabilities with rigorous evaluation and

Qualifications

• PhD or equivalent substantial experience in cheminformatics, computational chemistry, medicinal chemistry, chemical biology, or a related discipline.
• Deep understanding of compound design, predictive models, and discovery decision-making.
• Strong Python programming skills and experience developing automated workflows.
• Familiarity with workflow orchestration and software development practices.
• Hands-on experience with AI-assisted development and large language models.
• Ability to mentor scientists and engineers across a matrixed organization.
• Ability to travel domestically and internationally up to 10%.

Responsibilities

• Build trusted partnerships with scientists to understand decision workflows across projects.
• Shape and prioritize a portfolio of scientific questions for agentic workflows.
• Define robust approaches for translating questions into reusable workflows.
• Design use cases, reference datasets, and success criteria for evaluation.
• Evaluate agent behavior for scientific validity and robustness.
• Develop and test agentic prototypes in discovery settings and integrate with environments.
• Provide scientific and technical leadership across a portfolio of prototypes.
• Drive broader adoption by integrating agentic capabilities into discovery environments.

Skills

Python

Cheminformatics

Computational chemistry

AI in drug discovery

Team leadership

Data science

Education

PhD in cheminformatics or related field

Tools

Job description

Johnson & Johnson Innovative Medicine seeks a Principal Scientist to lead agent-enabled discovery workflows within In Silico Drug Discovery. Located in Spring House, PA, Cambridge, MA, or Beerse, Belgium, with travel expectations and no remote option.

The role shapes scientific directions, prototypes, and adoption across discovery programs. The candidate will mentor teams, partner with data science and platform engineering, and advance agentic capabilities with rigorous evaluation and