Lead Scientist, Predictive Small‑Molecule Design

Bristol Myers Squibb; Needham (MA); On-site; USD 167,000 - 202,000; Full time

Benefits offered by this job

Flexible Time Off

11 paid holidays

Vacation

Stock opportunities

Comprehensive benefits

Job summary

Bristol Myers Squibb is seeking a Principal Scientist for the Small Molecule Computational Design team. You will apply computational chemistry, cheminformatics, and machine learning to generate and test designs that advance discovery programs, balancing structure-based and data-driven approaches.

You will lead projects across multidisciplinary teams, curate data resources, mentor colleagues, publish results, and contribute to patent applications.

Qualifications

• Ph.D. with 4+ years (or Master's 6+ years / Bachelor's 8+ years) in computational chemistry, cheminformatics, computational biophysics, chemistry or related field.
• Directly impacting small molecule discovery programs with knowledge of medicinal chemistry principles.
• Experience in both computer-aided drug design and cheminformatics/machine learning.
• Experience applying computational modeling, AI/ML, data analytics and optimization to drug discovery.
• Experience applying computational methods to diverse biological targets and modalities.
• Strong communication and collaboration in multidisciplinary, distributed teams.
• Track record of publications in peer‑reviewed journals.

Responsibilities

• Serve as the computational scientist on Small Molecule project teams, delivering computational objectives.
• Design, prioritize, and triage chemical matter to optimize potency, selectivity, and ADME while mitigating risks.
• Develop, validate, deploy predictive models and cheminformatics workflows and drive adoption by teams.
• Integrate structural data with large-scale analysis to deepen SAR insights and inform strategy.
• Curate and steward chemical and biological data resources and reusable tooling.
• Provide scientific leadership and test innovative approaches within the group and with stakeholders.
• Mentor colleagues and publish findings to raise internal and external scientific visibility.

Skills

Computational chemistry

Cheminformatics

Machine learning

Drug design

Publications in peer‑reviewed journals

Education

Ph.D. with 4+ years

Master's degree with 6+ years

Bachelor's degree with 8+ years

Job description

Bristol Myers Squibb is seeking a Principal Scientist for the Small Molecule Computational Design team. You will apply computational chemistry, cheminformatics, and machine learning to generate and test designs that advance discovery programs, balancing structure-based and data-driven approaches.

You will lead projects across multidisciplinary teams, curate data resources, mentor colleagues, publish results, and contribute to patent applications.