Computational Chemist, AI-Driven Drug Discovery

Edison Scientific; San Francisco (CA); On-site; USD 180,000 - 250,000; Full time

Benefits offered by this job

Healthcare coverage

Parental support stipend

Fertility coverage

Mental health support

Parental leave

Pet care stipend

Commuter benefits

401(k) matching

Wellness stipend

Lunch and dinner provided

Team off-sites

Job summary

Edison Scientific in San Francisco, CA seeks a Computational Chemist to join our Forward Deployed team, embedding with pharma/biotech partners. You will ensure AI-driven chemistry is credible, synthesizable, and actionable, translating discovery thinking into agent behavior.

You’ll benchmark outputs, work with medicinal chemists, and feed insights back to improve molecular design reasoning. Onsite role with substantial collaboration.

Qualifications

• Ph.D. in Computational Chemistry, Medicinal Chemistry, Organic Chemistry, or related field and 5+ years of industry experience.
• Deep knowledge of cheminformatics tools such as RDKit, Schrödinger, MOE.
• Track record in lead optimization campaigns from hit identification through nomination.
• Experience integrating ADMET and DMPK data into design decisions.
• Ability to travel 20-40% of the time.

Responsibilities

• Improve AI agent performance to hit-to-lead chemistry tasks including SAR analysis, structure-based design, and synthetic feasibility analysis
• Design benchmarks and acceptance criteria for chemistry focused agent workflows
• Partner with medicinal chemists at client organizations to integrate AI agents into their discovery workflows
• Serve as the chemistry expert on AI generated outputs, assessing structural soundness, flagging failure modes, and determining what's actionable
• Collaborate daily with Forward Deployed Engineers and Computational Biologists on each account
• Support engagement scoping, success metrics, and technical evaluation with our go-to-market team members

Skills

Python

Therapeutic areas

Ambiguity tolerance

Education

Ph.D. in Computational Chemistry / Medicinal Chemistry

Tools

RDKit

Schrödinger

MOE

Job description

Edison Scientific in San Francisco, CA seeks a Computational Chemist to join our Forward Deployed team, embedding with pharma/biotech partners. You will ensure AI-driven chemistry is credible, synthesizable, and actionable, translating discovery thinking into agent behavior.

You’ll benchmark outputs, work with medicinal chemists, and feed insights back to improve molecular design reasoning. Onsite role with substantial collaboration.