Principal Scientist - Predictive Molecule Design

JRNLClub; Massachusetts; On-site; USD 167,000 - 202,000; Full time

Benefits offered by this job

Comprehensive benefits

Flexible Time Off

11 company holidays

Job summary

Bristol Myers Squibb is seeking a Principal Scientist to join the Small Molecule Computational Design team. You will use computational chemistry, cheminformatics, and machine learning to drive molecular designs that advance discovery programs.

You will lead project teams, develop predictive models, and integrate data from various sources to inform strategy and decision-making. This role emphasizes both structure-based design and data-driven approaches, with opportunities for publications and

Qualifications

• Ph.D. with 4+ years of academic or industry experience, or Master’s with 6+ years, or Bachelor’s with 8+ years.
• Strong history of directly impacting small molecule discovery programs in biotech or pharmaceutical industry.
• Experience with both computer-aided drug design and cheminformatics/machine learning.

Responsibilities

• Serve independently as the computational scientist on Small Molecule project teams, delivering computational objectives.
• Design, prioritize, and triage chemical matter to optimize potency, selectivity, and ADME properties.
• Develop, validate, and deploy predictive models and cheminformatics workflows for routine decision-making.
• Integrate structural information with large-scale data analysis to deepen SAR insights and shape strategy.
• Curate and steward chemical and biological data resources, tooling, and analysis infrastructure.
• Provide scientific leadership and mentor colleagues; publish and patent work as appropriate.

Skills

Computational chemistry

Cheminformatics

Machine learning

Data analysis

Structure-based design

Education

Ph.D. in computational chemistry/cheminformatics/biophysics/chemistry

Master's degree with 6+ years experience

Bachelor's degree with 8+ years experience

Tools

Python

R

Cheminformatics workflows

Job description

At Bristol Myers Squibb, our employees often ask, "Who are you working for?" a question that fuels collaboration, accountability, and urgency in our work. Our purpose-driven culture inspires us to discover, develop, and deliver innovative medicines to prevail over serious diseases. We offer uniquely interesting and meaningful work, opportunities for growth, and a supportive environment that values inclusion, wellbeing, flexibility, and comprehensive benefits. This is work that transforms the lives of patients, and the careers of those who do it.

Position Summary

Computational Sciences is seeking an exceptional Principal Scientist to join our Small Molecule Computational Design team. Using computational chemistry, cheminformatics, and machine learning, you will work as a member of our multidisciplinary project teams to proactively generate and test scientific hypotheses and directly translate those into actionable molecular designs that meaningfully advance our discovery programs. We are looking for a scientist who is equally excited about building a structural model as they are to build the machine learning model, dataset, or analysis that influences how an entire program reasons about its chemistry. If you thought you had to choose between structure-based design and cheminformatics and would rather not, this position was written for you.

What You'll Do

• Serve independently as the computational scientist on Small Molecule project teams, bringing both structure-based and data-driven approaches to bear on the same problem, and holding accountability for delivery of the computational objectives of those programs.
• Design, prioritize, and triage chemical matter, applying multi-parameter optimization to advance potency, selectivity, and ADME properties, while proactively identifying and mitigating potential toxicological risks.
• Develop, validate, and deploy predictive models and cheminformatics workflows and drive their adoption by project teams as routine decision‑making tools rather than one‑off analyses.
• Integrate structural information from co-crystal structures, cryo‑EM, and predicted or modeled structures with large-scale data analysis and visualization to deepen structure‑activity relationship insight and shape project strategy.
• Curate and steward the chemical and biological data resources, reusable tooling, and analysis infrastructure that the group depends on, ensuring analyses are reproducible, discoverable, and useful to scientists beyond their original author.
• Provide scientific leadership within Computational Sciences and our close partners on emerging technologies, platforms, targets, etc., taking calculated risk to test and advance innovative approaches within the group and among stakeholders.
• Act as an active mentor to colleagues, serve as a recognized internal subject area resource, and grow internal and external scientific visibility through publications, presentations, and patent applications.

What We're Looking For

We're seeking an experienced, innovative scientist that passionate about the role of computation in drug design. The ideal candidate will bring:

• Ph.D. with 4+ years of academic or industry experience, Master's degree with 6+ years of experience, Bachelor's degree with 8+ years of experience in computational chemistry, cheminformatics, computational biophysics, chemistry, or a related discipline.
• Strong history of directly impacting small molecule discovery programs in biotech or pharmaceutical industry, with a solid working knowledge of medicinal chemistry principles.
• Demonstrated hands‑on depth across both computer‑aided drug design and cheminformatics/machine learning. This dual capability is the defining requirement of the role.
• Experience applying computational modeling, AI/ML, data analytics, and optimization methods to advance drug discovery programs.
• Demonstrated experience applying computational methods to a variety of biological targets (e.g., proteins, DNA, RNA) and familiarity with diverse therapeutic modalities such as covalent and non‑covalent inhibitors, allosteric modulators, targeted protein degraders, antibodies, and antibody-drug conjugates.
• Superior communication skills and a collaboriative mindset that thrives in multidisciplinary and geographically dispared project teams.
• Track record of publications in peer‑reviewed scientific journals.

Compensation Overview

Cambridge Crossing: $166,770 - $202,086

Benefits

• Subject to the terms and conditions of the applicable plans then in effect, you may be eligible to participate in our comprehensive benefit plans - including wellbeing support, retirement and financial protection benefits, and insurance offerings (medical, dental, vision, life and disability).
• U.S.-based exempt employees are eligible for Flexible Time Off (FTO), which provides paid time off without a set accrual limit, subject to manager approval, along with 11 paid company holidays each year.
• Non-exempt employees, RayzeBio employees, and employees located in Puerto Rico receive 160 hours of paid vacation annually for new hires (subject to manager approval), 11 paid company holidays, and 3 optional holidays.
• Depending on eligibility, employees may also have access to additional time‑off benefits, including paid sick leave, up to two paid volunteer days per year, summer hours flexibility, and leaves of absence for medical, personal, parental, caregiver, bereavement, or military needs. Eligible employees also enjoy an annual Global Shutdown between Christmas Day and New Year's Day.
• U.S.-based job seekers can explore full benefit offerings at https://careers.bms.com/benefits

How We Work

Where you work matters – because collaboration, innovation and patient impact happen in many settings. Our roles are structured across four work models: site-essential, site-by-design, field-based and remote-by-design. The model assigned to this role is based on its core responsibilities. Learn more at https://careers.bms.com/ways-of-working.

Supporting People with Disabilities

BMS is dedicated to ensuring that people with disabilities can excel through a transparent recruitment process, reasonable workplace accommodations/adjustments and ongoing support in their roles. Applicants can request a reasonable workplace accommodation/adjustment prior to accepting a job offer. If you require reasonable accommodations/adjustments in completing this application, or in any part of the recruitment process, direct your inquiries to [e-mail]. Visit careers.bms.com/eeo-accessibility to access our complete Equal Employment Opportunity statement.

Candidate Rights

BMS will consider qualified applicants with arrest and conviction records, pursuant to applicable laws in your area. For roles based in Los Angeles County only: If you live in or expect to work from Los Angeles County if hired for this position, please visit this page for important additional information: https://careers.bms.com/california-residents/ For roles based in Washington State only: If you live in or expect to work from Washington State if hired for this position, please visit this page for important information about the Washington Fair Chance Act.

Data Protection

We will never request payments, financial information, or social security numbers during our application or recruitment process. Learn more about protecting yourself at https://careers.bms.com/fraud-protection. Any data processed in connection with role applications will be treated in accordance with applicable data privacy policies and regulations.

R1607890 : Principal Scientist - Predictive Molecule Design