Computational Chemist: AI-Driven Drug Discovery Partner

edisonscientific.com; San Francisco (CA); On-site; USD 180,000 - 250,000; Full time

Benefits offered by this job

Competitive salary

Equity

Healthcare coverage for you and depend

Parental leave stipend

Fertility coverage

Mental health support

401(k) matching

Wellness benefit

Daily lunch in office

Job summary

Edison Scientific is seeking a Computational Chemist to join our Forward Deployed team, embedded with pharma and biotech partners. You will ensure AI-generated chemistry is credible, synthesizable, and useful to real drug discovery teams, building benchmarks and evaluating agent outputs with medicinal chemists.

Onsite in San Francisco, you will translate discovery chemists' thinking into agent behavior, collaborate with engineers and computational biologists, and help define success metrics and

Qualifications

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

Lead optimization

Cheminformatics

Education

Ph.D. in Computational, Medicinal, or Organic Chemistry

Tools

RDKit

Schrödinger

MOE

Job description

Edison Scientific is seeking a Computational Chemist to join our Forward Deployed team, embedded with pharma and biotech partners. You will ensure AI-generated chemistry is credible, synthesizable, and useful to real drug discovery teams, building benchmarks and evaluating agent outputs with medicinal chemists.

Onsite in San Francisco, you will translate discovery chemists' thinking into agent behavior, collaborate with engineers and computational biologists, and help define success metrics and