Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discover[...]

Owen Thomas | Pending B Corp™; United Kingdom; Remote; GBP 140,000 - 160,000; Full time

Job summary

A mission-driven technology company in life sciences seeks a Principal ADMET Scientist to lead ADMET modeling within their drug discovery platform. This role combines machine learning, computational chemistry, and applied research to advance drug discovery efforts, offering a competitive salary and flexible remote work options.

Benefits

Flexible hours

Attractive Stock Options

Fully Remote Working Culture

Qualifications

• PhD in Computational Chemistry or equivalent.
• 5+ years in drug discovery.
• Hands-on ADMET modelling experience.

Responsibilities

• Lead design and implementation of ML solutions for ADMET.
• Develop models for specific applications including data distillation.
• Contribute to scientific publications or open-source software.

Skills

ADMET modelling

Machine Learning

Computational Chemistry

Data Privacy

Stakeholder Communication

Education

PhD in Computational Chemistry or equivalent

Job description

Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000K, plus early equity+benefits

Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000K, plus early equity+benefits

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Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000K, plus early equity+benefits

The Client:

A mission-driven technology company operating in the life sciences domain is seeking a Principal Scientist - hands-on ADMET modelling, ML engineer to lead the technical direction for ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) modeling efforts within its drug discovery platform. The organisation enables collaborative model development across partner organisations while maintaining strict data privacy and ownership, using a federated data infrastructure.

In this hands-on, high-impact role, you’ll work at the intersection of machine learning, computational chemistry, and applied research to advance foundational model applications in drug discovery. You'll be the technical authority on ML architecture, experimentation, and strategy, collaborating closely with leadership and mentoring other engineers and researchers. While this is not a people management position, it offers significant influence over technical direction.

Responsibilities for the Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000K, plus early equity+benefits

• Lead the design and implementation of ML solutions for ADMET using cutting-edge techniques such as graph neural networks and transformers.
• Develop and extend models for specific applications, including data distillation, benchmarking, and evaluation.
• Define preprocessing and harmonization strategies for diverse assay datasets used in ADMET modeling.
• Author or contribute to scientific publications or open-source software where appropriate.

Expected Milestones

• By Month 3: Own an ADMET modeling stream and deliver a roadmap with a structured experimentation plan tailored to a key use case.
• By Month 12: Lead multiple ADMET ML initiatives, showing measurable performance improvements and tangible real-world outcomes. Serve as a strategic technical voice within the team.

Experience needed for the Principal ADMET Scientist - modelling, ML engineer | Cheminformatics | Series A - Drug discovery B2B Platform | Fully Remote, EU | Base Salary Up to £160,000K, plus early equity+benefits

• PhD computational chemistry or equivalent
• Drug discovery experience (5y+)
• Hands on ADMET modelling experience (broad scope)
• Hands on experience building an ML based model on public and/or internal pharma datasets in the computational chemistry space.
• Confidence in building silico models
• Excellent communicator and connecting stakeholders excellent planning capabilities for experimental planning and execution
• Experience in working in consortium is a plus

Remuneration for the Principal ADMET Scientist - modelling, ML engineer

• Fully Remote Working Culture
• Up to £160,000 Base Salary
• Attractive Stock Options
• B2B & Full time employee options
• Flexible hours + - 3 hours of CET time zone

If you think you are a good match for the Principal Machine Learning Engineer, ADMET | Pharma/BioTech expertise, ping us over your CV and we will give you a call if we think you are a good match!

Seniority level

• Seniority level

  Mid-Senior level

Employment type

• Employment type

  Full-time

Job function

• Job function

  Engineering and Information Technology

• Industries

  Software Development

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