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Computational Scientist (Medicinal Chemistry)

Axiombio

San Francisco, California, USA permanent

Posted: November 14, 2025

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Quick Summary

Be a founding member of a team setting out to build the first accurate AI systems for replacing lab and animal toxicity experiments with AI models.

Job Description

Charter:

Be a founding member of a team setting out to build the first accurate AI systems for replacing lab and animal toxicity experiments with AI models

What are we looking for:

We only want to hire people who deeply inspire us and relentlessly push us to be better. They must level up the entire team, bringing significant energy and a sense of awe. They should have great taste for what matters, see what needs doing, and do it with great urgency. They should just act. There must be a deep curiosity for all facets of Axiom, a greater ambition fueling their excitement for what we do. They need to be cracked, technically excellent, obsessive masters of their craft. They're irrational; they could work in big tech, but they know it will not satisfy them: they want the challenge of solving a brutally difficult scientific problem and building a generational company from the ground up, as well as the rewards and glory that will come as a result.

What you will be doing:

• Lead the development of AI models for predicting human clinical outputs by analyzing model outputs to pinpoint high-performing and underperforming use cases.

• Collaborate with machine learning researchers to drive the development of cutting-edge models for predicting human clinical outcomes.

• Direct model usage, interpretability, refinement, and improvement.

• Clean, curate, and process large-scale chemistry datasets spanning many unique compounds for model evaluation, training, and more.

• Partner directly with top drug hunters at Pfizer, Takeda, Gilead, Merck, and others to interpret model predictions and accelerate decision-making.

• Design new strategies to expand our experimental and molecular dataset intelligently—driven by data, ML performance, and real-world drug hunter usage.

• Influence active drug programs and play a role in evolving how the world’s leading pharma teams develop safe, effective medicines.

• Help shape Axiom’s product based on customer feedback and insights you uncover from speaking and developing relationships with the world's leading drug hunters.

Expertise which sparks our interest:

• Likely either has an advanced degree in chemistry, cheminformatics, or computational chemistry, or has industry experience at a drug discovery company.

• Might identify as a ML for chemistry researcher, computational chemist, medicinal chemist, or cheminformatics scientist.

• Experience working with drug hunters on advancing real drugs towards the clinic.

• Deep understanding of the current limitations of preclinical models and a passion, vision to make them extremely better.

• Presentation and soft skills with the ability to own customer relationships and partnerships with both biotech companies and big pharma.

• Coding and statistics background: should be comfortable with python, with cheminformatics libraries like rdkit and datamol, scientific computing libraries like numpy, and ideally also with data processing (SQL, pandas, basic cloud computing).

• Experience analyzing massive chemical datasets and diving conclusions based on data science and chemistry.

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