Senior Scientist — Predictive Molecule Design (CAD/ML)

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

Benefits offered by this job

Comprehensive benefits

Flexible work arrangements

Job summary

Bristol Myers Squibb in Cambridge, MA is seeking a Principal Scientist to join the Small Molecule Computational Design team. You will apply computational chemistry, cheminformatics, and machine learning to generate design hypotheses and translate them into actionable molecular designs advancing discovery programs.

The role combines structure-based design with data-driven approaches, encouraging leadership, collaboration across multidisciplinary teams, and mentorship.

Qualifications

• Ph.D. with 4+ years of academic or industry experience in computational chemistry, cheminformatics, computational biophysics, chemistry, or related discipline.
• Strong history of directly impacting small molecule discovery programs in biotech or pharmaceutical industry.
• Demonstrated hands-on depth across computer-aided drug design and cheminformatics/machine learning; dual capability is key.
• Experience applying computational modeling, AI/ML, data analytics, and optimization methods to drug discovery.
• Publications in peer-reviewed journals.

Responsibilities

• Serve independently as the computational scientist on Small Molecule project teams, delivering computational objectives.
• Design, prioritize, and triage chemical matter to improve potency, selectivity, and ADME properties while mitigating risks.
• Develop, validate, and deploy predictive models and cheminformatics workflows; drive adoption by project teams.
• Integrate structural data from co-crystal structures, cryo-EM, and models with large-scale data analysis to deepen SAR insights.
• Curate and steward chemical and biological data resources and reusable tooling for reproducible analyses.
• Provide scientific leadership within Computational Sciences and partners on emerging technologies and platforms.
• Mentor colleagues and raise internal/external scientific visibility through publications, presentations, and patents.

Skills

Computational chemistry

Cheminformatics

Machine learning

Molecular modeling

Drug design

Team collaboration

Education

Ph.D. in computational chemistry/chemistry/biophysics

Job description

Bristol Myers Squibb in Cambridge, MA is seeking a Principal Scientist to join the Small Molecule Computational Design team. You will apply computational chemistry, cheminformatics, and machine learning to generate design hypotheses and translate them into actionable molecular designs advancing discovery programs.

The role combines structure-based design with data-driven approaches, encouraging leadership, collaboration across multidisciplinary teams, and mentorship.