Principal Scientist - Predictive Molecule Design

Bristol Myers Squibb • Needham, MA

11d • $166,770 - $202,086 • Onsite

About The Position

Bristol Myers Squibb’s Computational Sciences group is seeking a Principal Scientist for its Small Molecule Computational Design team. The scientist will serve on multidisciplinary small-molecule project teams, using computational chemistry, cheminformatics, and machine learning to generate and test hypotheses and translate findings into actionable molecular designs that advance discovery programs. The position combines structure-based drug design with data-driven approaches and includes accountability for delivering computational objectives for assigned programs.

The role includes designing and prioritizing chemical matter, applying multi-parameter optimization to improve potency, selectivity, and ADME properties, and identifying and mitigating potential toxicological risks. The scientist will develop and deploy predictive models and cheminformatics workflows, integrate structural and large-scale data analyses, and maintain chemical and biological data resources and reusable analytical infrastructure. The position also provides scientific leadership, mentorship, and contributions to publications, presentations, and patent applications.

The listed compensation range for Cambridge Crossing is $166,770–$202,086. The position is described as onsite in the job title tag (#LI-Onsite).

Requirements

• Ph.D. with at least 4 years of academic or industry experience, a master’s degree with at least 6 years of experience, or a bachelor’s degree with at least 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 the biotechnology or pharmaceutical industry.
• Solid working knowledge of medicinal chemistry principles.
• Hands-on depth in both computer-aided drug design and cheminformatics/machine learning; the posting identifies this dual capability as a defining requirement.
• Experience applying computational modeling, AI/ML, data analytics, and optimization methods to drug discovery programs.
• Experience applying computational methods to a variety of biological targets, such as proteins, DNA, and RNA.
• Superior communication skills and a collaborative mindset suited to multidisciplinary and geographically dispersed project teams.
• Track record of publications in peer-reviewed scientific journals.

Nice To Haves

• Familiarity with diverse therapeutic modalities, including covalent and non-covalent inhibitors, allosteric modulators, targeted protein degraders, antibodies, and antibody-drug conjugates.

Responsibilities

• Serve independently as the computational scientist on small-molecule project teams, applying structure-based and data-driven approaches and taking accountability for computational objectives.
• Design, prioritize, and triage chemical matter using multi-parameter optimization to advance potency, selectivity, and ADME properties, while identifying and mitigating potential toxicological risks.
• Develop, validate, and deploy predictive models and cheminformatics workflows, and promote their adoption as routine project decision-making tools.
• Integrate information from co-crystal structures, cryo-EM, and predicted or modeled structures with large-scale data analysis and visualization to improve structure-activity relationship insight and inform project strategy.
• Curate and steward chemical and biological data resources, reusable tooling, and analysis infrastructure, ensuring analyses are reproducible, discoverable, and useful to other scientists.
• Provide scientific leadership to Computational Sciences and partner groups on emerging technologies, platforms, and targets; test and advance innovative approaches.
• Mentor colleagues and serve as an internal subject-area resource.
• Build internal and external scientific visibility through publications, presentations, and patent applications.

Benefits

• Comprehensive benefit plans, including wellbeing support, retirement and financial protection benefits, and medical, dental, vision, life, and disability insurance offerings, subject to applicable plan terms and eligibility.
• Flexible Time Off without a set accrual limit for eligible U.S.-based exempt employees, subject to manager approval.
• Paid company holidays: 11 annually for eligible U.S.-based exempt employees; non-exempt employees, RayzeBio employees, and employees located in Puerto Rico also receive 3 optional holidays.
• For non-exempt employees, RayzeBio employees, and employees located in Puerto Rico: 160 hours of paid vacation annually for new hires, subject to manager approval.
• Depending on eligibility, 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 may receive an annual Global Shutdown between Christmas Day and New Year’s Day.
• Additional discretionary incentive cash and stock opportunities may be available.

What This Job Offers

• Job Type: Full-time
• Career Level: Senior