Principal Scientist: Predictive Molecule Design

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

Benefits offered by this job

Comprehensive benefits

Flexible time off

Holiday pay

Stock opportunities

Job summary

Bristol Myers Squibb is seeking a Principal Scientist for the Small Molecule Computational Design team in Cambridge, MA. You will combine structure-based design with data-driven approaches to generate and test molecular designs that drive discovery programs forward.

You’ll lead multi-disciplinary efforts, develop predictive models, integrate structural data with large-scale analyses, and mentor colleagues while advancing publications and patent activity.

Qualifications

• Ph.D. required with 4+ years of relevant experience, or Master’s with 6+ years, or Bachelor’s with 8+ years in computational chemistry/cheminformatics.
• Proven track record in small molecule discovery within biotech or pharma.
• Hands-on expertise in computer-aided drug design and cheminformatics/ML.
• Experience applying computational modeling, AI/ML, data analytics, and optimization for drug discovery.
• Proficiency with translating computational work into actionable designs and program decisions.
• Strong communication and collaborative skills across multidisciplinary teams.

Responsibilities

• Serve as the computational scientist on Small Molecule projects, delivering computational objectives.
• Design and triage chemical matter, optimizing potency, selectivity, and ADME while mitigating toxic risks.
• Develop, validate, and deploy predictive models and workflows for routine use by project teams.
• Integrate structural data with large-scale analysis to inform SAR and project strategy.
• Curate data resources, tooling, and analysis infrastructure for reproducibility and accessibility.
• Provide scientific leadership and mentor colleagues; publish and present work.

Skills

Computational chemistry

Cheminformatics

Machine learning

Data analytics

Structure-based design

Scientific communication

Education

PhD with 4+ years

Master's with 6+ years

Bachelor's with 8+ years

Tools

Cryo-EM data integration

Co-crystal structure analysis

Job description

Bristol Myers Squibb is seeking a Principal Scientist for the Small Molecule Computational Design team in Cambridge, MA. You will combine structure-based design with data-driven approaches to generate and test molecular designs that drive discovery programs forward.

You’ll lead multi-disciplinary efforts, develop predictive models, integrate structural data with large-scale analyses, and mentor colleagues while advancing publications and patent activity.