Senior Computational Toxicologist, AI-Driven Drug Safety

Axiom; San Francisco (CA); Hybrid; USD 150,000 - 230,000; Full time

Job summary

Axiom is building an AI-driven platform to replace animal testing and predict human drug safety. You will sit at the center of chemistry, biology, modeling, and customer work to advance models predicting human toxicity from structure, exposure, and biological readouts.

You will collaborate with ML researchers, interpret model outputs for pharma partners, and help shape datasets and workflows for medicinal chemists and toxicologists.

Qualifications

• Advanced degree in chemistry/computational chemistry/cheminformatics or equivalent experience.
• Able to combine medicinal chemistry judgment with computation.

Responsibilities

• Lead analysis of model outputs across chemical series and toxicity endpoints.
• Identify where models perform well or fail and what that reveals about chemistry/biology.
• Collaborate with ML researchers to improve toxicity predictions as a function of structure, potency, and exposure.
• Analyze large-scale chemical datasets for model training, evaluation, benchmarking, and dataset design.
• Curate chemical data including identifiers, structures, salts, stereochemistry, dose/exposure, and ADME properties.
• Use medicinal chemistry intuition to interpret model predictions and patterns.
• Partner with pharma/biotech customers to interpret outputs and guide program decisions.
• Help design new experimental datasets based on model failures and customer needs.
• Bridge chemical structure to clinical outcomes via agentic system.
• Shape product by translating feedback into better model outputs and visuals.
• Define how top drug hunters use AI to design safer medicines.

Skills

Chemistry degree

Computational chemistry

Cheminformatics

Drug discovery

Education

Chemistry PhD

Medicinal chemistry

Tools

RDKit

Datamol

DeepChem

Python

Job description

Axiom is building an AI-driven platform to replace animal testing and predict human drug safety. You will sit at the center of chemistry, biology, modeling, and customer work to advance models predicting human toxicity from structure, exposure, and biological readouts.

You will collaborate with ML researchers, interpret model outputs for pharma partners, and help shape datasets and workflows for medicinal chemists and toxicologists.