Computational Scientist (Medicinal Chemistry)

Axiombio seeks a full-time Computational Scientist specializing in Medicinal Chemistry for our San Francisco Global headquarters. You'll develop AI systems replacing animal toxicity testing with human-centered safety models.

Role Overview

You'll occupy a central position connecting chemistry, machine learning, and pharmaceutical partnerships. This founding role lets you transform how companies predict and prevent human toxicity through computational approaches.

What You'll Do

• Analyze model performance across chemical scaffolds, targets, and clinical toxicity endpoints
• Diagnose model strengths and weaknesses, identifying root causes in chemistry, biology, or data gaps
• Collaborate with ML engineers on human toxicity prediction from molecular structure, biological activity, and clinical context
• Process and validate hundreds of thousands of compounds for model training and evaluation
• Curate chemical data including structures, exposures, metabolic properties, targets, and outcomes
• Apply medicinal chemistry intuition to interpret predictions and identify meaningful patterns
• Consult with senior researchers at leading pharma and biotech firms to explain model results
• Design new datasets addressing model gaps and customer needs
• Identify toxicity mechanisms to guide therapeutic programs
• Shape product development by translating customer feedback into improved workflows

Who We're Looking For

• Advanced degree in chemistry, computational chemistry, cheminformatics, medicinal chemistry, or equivalent pharma experience
• Background as computational chemist, cheminformatics scientist, chemistry-ML researcher, or technical medicinal chemist
• Understanding of drug discovery from hit identification through lead optimization to candidate selection
• Knowledge of potency, selectivity, ADME, pharmacokinetics, exposure, and clinical translatability
• Ability to analyze large chemical datasets and communicate findings to pharma partners
• Technical proficiency with Python, Pandas, NumPy, RDKit, molecular fingerprinting, QSAR modeling, dose-response analysis, SQL, and cloud platforms
• Familiarity with drug discovery datasets (targets, assays, potency, ADME, toxicology, clinical data)
• Desire to build tools that directly influence real drug discovery programs

About the Company

Axiombio is building an ecosystem to eliminate animal testing in drug safety and reshape clinical trial methodology. We begin by understanding pharmaceutical researchers' needs, which shapes datasets created for this purpose. These datasets advance our machine learning and collaborations with leading AI labs. Better models unlock value in active programs, revealing the next challenges to solve. Today we focus on preventing drug-induced liver injury—our system is used by seven of the world's top 20 pharmaceutical companies and numerous leading independent biotechs. Over time, we'll assemble the world's most comprehensive human biology datasets across organ systems, paired with an agentic framework forecasting human drug outcomes far better than animal models.

Next Steps

To apply, complete your application directly on this page, or you'll be redirected to the employer's application platform to finish submitting there.