Scientist, AI Cheminformatics

Frontier Medicines isseeking a highly motivated Scientist, AI Cheminformaticsto join our Machine Learningorganization. This role will play a key scientific and technical role in advancing Frontier’sAIand cheminformatics capabilities in support ofcovalentsmall molecule drug discovery.

The successful candidate will design and implement machine learning, cheminformatics, andadvancedanalytics workflows thatleverage

Frontier’slarge scalecovalentchemistry data to guidecovalentcompound design, prioritization, and optimization. This role works closely with medicinal chemistry, biology, and cross-functional drug discovery teams to translate complex data into actionable insights.

This position is ideal for an individual contributor who thrives in scientifically uncharted territory and enjoys building novel solutions where no template existsand loves to enable others through their work.

This is an exciting opportunity in our South San Francisco site to deploy

AIto make a difference for patients suffering from debilitating diseases by working in a highly collaborative and energetic team in a startup environment with short communication lines across functions and departments

• Design, develop, and apply cheminformatics andAIworkflows to support small molecule discovery, including compound prioritization, library design, and structure–activity relationship analysis
• Develop and deploy machine learning models using proprietary chemoproteomics, chemistry, and experimental datasets to drive biological insight and project decision-making.
• Partner closely with medicinal chemistry and drug discovery teams as an embedded analytics andAIexpert,actas a liaisonto the computationaland medicinal chemistry departments and project teams.
• Design novel algorithms and analytical approaches tailored to Frontier’s unique datasets and scientific questions.
• Stay current with emerging advances inAI, cheminformatics, and computational drug discovery, andleadinternal adoption of promising methods.
• Communicate results, hypotheses, and recommendations clearly through presentations, documentation, and scientific discussions.
• Contribute to scalable, maintainable, and reproducible software and analytics solutions following best practices.

• PhD in computational or quantitative discipline such as cheminformatics, computational chemistry, computer science, data science, computational biology, chemical engineering, ora related field.
• Strong programming skills in Python
• Experience applying
  
  AIto medicinal chemistry or cheminformatics problems (e.g., molecular representations, fingerprints,generativemodels,transformers,pretrainingstrategies,propertyprediction,virtualscreening,ADMETmodeling)
• Comfort with modern software development practices including version control, testing, containerization, and cloud-based computing environments (AWS experience is a plus).
• Ability to work independently while thriving in a highly collaborative, cross-functional environment.
• Excellent written and verbal communication skills.
• Legally authorized to work in the United States.

• Scientist
• Minimum1+ years of relevant industry experience.
• Demonstrated ability to independentlyor with limited guidancedesign and execute computational andAIapproaches for drug discovery problems.
• Proven track recordof leading complex analytical strategies and influencing discovery programs through data-driven insights.
• Ability to effectively collaborate with experts from other domains

• Health Care Plan (Medical, Dental & Vision)
• Retirement Plan (401k, IRA)
• Life Insurance (Basic, Voluntary & AD&D)
• Paid Time Off (Vacation, Sick & Public Holidays)
• Family Leave (Maternity, Paternity)
• Short Term & Long Term Disability
• Training & Development
• Free Food & Snacks
• Wellness Resources
• Stock Option Plan

At Frontier, we strive to build a diverse and equitable workplace. The salary range for this role is $130,000 - $175,000. Compensation for the role will depend on a number of factors, including candidates' qualifications, skills, competencies and experience. Frontier offers a competitive total rewards package which includes healthcare coverage, 401k and a broad range of other benefits.

This compensation and benefits information is based on Frontier's knowledge as of the date of publication, and may be modified in the future.