Principal Scientist, Agentic Cheminformatics & Workflows

Johnson & Johnson Innovative Medicine; Cambridge (MA); On-site; USD 117,000 - 201,000; Full time

Benefits offered by this job

Vacation time

Sick leave

Holiday pay

401(k) / retirement plan

Job summary

Johnson & Johnson Innovative Medicine is recruiting a Principal Scientist to lead agent-enabled discovery workflows in our In Silico Drug Discovery team. The role focuses on prototyping and validating agentic chemoinformatics solutions, collaborating with chemists, biologists, and data scientists.

The candidate will design and test workflows, ensure scientific validity, and drive adoption across discovery programs while partnering with platform engineers on AI architecture and deployment.

Qualifications

• PhD or equivalent substantial experience in cheminformatics, computational chemistry, medicinal chemistry, or related discipline.
• Deep understanding of compound design and predictive models for discovery decision-making.
• Strong Python programming skills and experience developing automated workflows.
• Hands-on experience with AI-assisted development and large language models.
• Ability to travel domestically and internationally up to 10%.

Responsibilities

• Lead the identification and prototyping of agent-enabled discovery workflows.
• Define robust, reusable approaches translating scientific questions into workflows.
• Evaluate agent behavior for scientific validity and reproducibility.
• Develop agentic prototypes and coordinate with data science and platform teams.
• Drive adoption by integrating agentic capabilities into discovery environments.

Skills

Python programming

AI-assisted workflows

Workflow orchestration

Data science

Leadership

Travel up to 10%

Education

PhD or equivalent in cheminformatics / computational chemistry

Job description

Johnson & Johnson Innovative Medicine is recruiting a Principal Scientist to lead agent-enabled discovery workflows in our In Silico Drug Discovery team. The role focuses on prototyping and validating agentic chemoinformatics solutions, collaborating with chemists, biologists, and data scientists.

The candidate will design and test workflows, ensure scientific validity, and drive adoption across discovery programs while partnering with platform engineers on AI architecture and deployment.