Principal Scientist, Scientific Workflows – Agentic Cheminformatics

Johnson & Johnson

. Identify, scientifically design, prototype, and validate agent-enabled workflows addressing high-value discovery questions .

Posted 10/13/2026full-timeUnited StatesLead💰 $117,000 - $201,250 per yearWebsite

Core Competencies

Role fit

Core Competencies

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Demonstrates expertise in cheminformatics, computational chemistry, and drug discovery, with strong capabilities in Python programming and automated workflow development. Proven ability to lead scientific initiatives, mentor teams, and integrate AI-assisted approaches into discovery processes.

Highest-signal resume keywords

PhD In CheminformaticsPython Programming SkillsAutomated Workflow DevelopmentScientific LeadershipCross-Disciplinary Collaboration

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills

CheminformaticsComputational ChemistryMedicinal ChemistryPredictive ModelsAutomated WorkflowsWorkflow OrchestrationAI-Assisted DevelopmentLarge Language ModelsEnd-to-End Scientific WorkflowsBioactivity Databases

Soft Skills

MentoringInfluencing StakeholdersBuilding Alignment

Tools & Technologies

Version ControlContinuous IntegrationContinuous DeliveryScientific Applications

Industry Keywords

Drug DiscoveryAgent-Enabled WorkflowsScientific ValidityData SciencePlatform Engineering

Tech Stack

Tools & technologies

Python

About the role

Key responsibilities & impact

Identify, scientifically design, prototype, and validate agent-enabled workflows addressing high-value discovery questions
Build partnerships with medicinal chemists, CADD scientists, biologists, DMPK scientists, data scientists, and scientific leaders
Shape and prioritize scientific questions and decision points where agentic approaches can improve discovery quality or speed
Define robust, reusable approaches for translating complex scientific questions into explicit workflows
Design use cases, reference datasets, and success criteria for rigorous evaluation
Evaluate agent behavior and outputs for scientific validity, reproducibility, uncertainty, tool use, robustness, and relevance to discovery decisions
Capture scientific insights from early applications and identify approaches for further development and adoption
Develop and test agentic prototypes in realistic discovery settings using scientific expertise, data, predictive models, computational or laboratory methods, and coordinated tools
Provide scientific and technical leadership across a portfolio of agentic prototypes
Drive adoption by integrating agentic capabilities into scientific environments and building communities of practice
Partner with data science and platform engineering teams on AI architecture, production implementation, security, and sustained operation
Translate scientific requirements and evidence into reusable capabilities deployable across discovery programs

Requirements

What you’ll need

PhD or equivalent substantial experience in cheminformatics, computational chemistry, medicinal chemistry, chemical biology, or a related discipline
Recognized depth of scientific expertise relevant to drug discovery
Deep understanding of compound design, predictive models, and discovery decision-making
Strong Python programming skills
Experience developing automated workflows, pipelines, or scientific applications
Familiarity with workflow orchestration and software development practices, including version control, testing, and continuous integration and delivery
Hands-on experience using AI-assisted development approaches to build reliable scientific software or automated workflows
Practical experience applying large language models and designing interactions between models, tools, and human experts
Ability to define scientific direction in ambiguous areas and influence stakeholders across scientific, data science, and technology organizations
Track record of scientific leadership and cross-disciplinary collaboration
Ability to mentor scientists and engineers and build alignment across a matrixed organization
Ability to travel domestically and internationally up to 10% of the time
Experience designing and evaluating end-to-end agent-enabled scientific workflows or multi-agent solutions preferred
Strong knowledge of and hands-on experience with public and commercial bioactivity and chemogenomics databases
Track record of partnering with platform engineering teams to develop production-ready solutions

Benefits

Comp & perks

Annual performance bonus
Medical, dental, and vision insurance
Life insurance
Short- and long-term disability insurance
Business accident insurance
Group legal insurance
Pension plan
401(k) savings plan
Vacation: up to 120 hours per calendar year
Sick time: up to 40 hours per calendar year
Holiday pay, including floating holidays: up to 13 days per calendar year
Work, Personal and Family Time: up to 40 hours per calendar year