Head of Cheminformatics and Data Architecture

Nxera Pharma; City Of London; On-site; GBP 100,000 - 150,000; Full time

Job summary

A biotechnology company is seeking a Head of Cheminformatics and Data Architecture to lead innovative cheminformatics initiatives and data integration within a world-class team. The successful candidate will have a PhD and extensive experience in pharmaceutical R&D, including proven expertise in cheminformatics and leadership skills. This role offers a unique opportunity to redefine therapeutic discovery through AI and collaboration with top scientists and engineers.

Benefits

Competitive compensation package

26 days annual leave

Private Medical Insurance

Health and wellbeing benefits

Qualifications

• Must have 10+ years in pharma/biotech R&D.
• Minimum 5 years in senior leadership roles.
• Hands-on experience with ML/AI integration.

Responsibilities

• Define and execute cheminformatics vision.
• Architect scalable data frameworks.
• Build and lead multidisciplinary teams.

Skills

Pharmaceutical R&D

Data architecture principles

Artificial Intelligence

Chemoinformatics platforms

Leadership skills

Education

PhD in Chemistry or related field

Tools

Machine Learning

APIs

Job description

Head of Cheminformatics and Data Architecture

About Nxera Pharma

Nxera Pharma is establishing a new AI enabled discovery initiative to build a high throughput AI and physics driven GPCR discovery engine that augments our world class experimental capabilities and extensive proprietary structural and chemogenomic data assets originating from Heptares Therapeutics. This initiative sits within our newly formed Computational Sciences team alongside Research Informatics, Chem Informatics and Bio Informatics. AI is being deployed across the NxWaveTM platform, trained on the industry’s most extensive proprietary GPCR structure–ligand dataset and paired with our curated chemogenomic library of GPCR focused small molecules.

Our mission is to unlock the vast untapped potential of G-protein-coupled receptors (GPCRs) using computational and experimental innovation to design first-in-class therapeutics across metabolic, neurological, immunological, and rare diseases.

As part of Nxera’s mission to redefine how new medicines are discovered and to fully leverage advances in AI, quantum mechanics and next generation data integration, we are seeking a Head of Cheminformatics and Data Architecture.

The Role

The Head of Cheminformatics and Data Architecture will define how chemical, biological, and data ecosystems integrate to power our discovery engine.

You will lead a world-class team responsible for cheminformatics innovation, molecular data architecture, and the integration of AI / ML platforms (MLOps) to accelerate small molecule design and optimisation.

What You’ll Do

• Strategic Leadership : Define and execute Nxera’s cheminformatics and data architecture vision across discovery and early development.
• Data Architecture & Infrastructure :
• Architect and oversee scalable data frameworks that unify chemical, biological, and structural data across the enterprise.
• Partner with Discovery and Platform teams to ensure seamless data flow, standardisation, and accessibility for scientific users.
• Implement FAIR (Findable, Accessible, Interoperable, Reusable) data principles across discovery workflows.
• Cheminformatics Innovation :
• Advance the use of computational chemistry, molecular modelling, and AI-driven structure–activity prediction.
• Lead the design and deployment of internal cheminformatics platforms, APIs, and visualisation tools.
• Cross-functional Collaboration : Partner with Discovery scientists to develop predictive design capabilities and multi-modal data strategies.
• External Engagement : Represent Nxera in strategic collaborations, conferences, and partnerships with technology providers and academic leaders.
• Leadership & Mentorship : Build, inspire, and grow multidisciplinary teams spanning cheminformatics, data architecture, and computational sciences.

What You’ll Bring

• PhD in Chemistry, Computational Chemistry, Cheminformatics, or related field.
• 10+ years in pharma / biotech R&D with at least 5 years in senior leadership roles.
• Proven expertise in building and managing cheminformatics platforms and data ecosystems.
• Deep understanding of data architecture principles, ontologies, and modern data stack technologies (cloud-native, API-first, microservices).
• Hands‑on experience with ML / AI model integration into cheminformatics workflows.
• Strong track record of advancing discovery programs through computational and data‑driven innovation.
• Exceptional communication and leadership skills, capable of influencing across technical and executive domains.

Why Join Nxera Pharma

• Lead the evolution of AI-driven molecular discovery in a company built on scientific integrity and purpose.
• Work at the nexus of mathematics, machine learning, and molecular biology, redefining how therapeutics are discovered.
• Collaborate with world-class researchers and engineers united by a mission to bring precision medicines to patients faster.

What’s in it for you?

• State-of-the-art R&D centre located in the heart of the Cambridge science cluster - for Cambridge hires.
• Competitive compensation package including discretionary cash bonuses.
• Eligible for grants of Restricted Stock Units.
• 26 days annual leave in addition to public holidays plus the option to purchase an additional 5 days each year.
• Employer contribution to pension.
• Private Medical Insurance for employees and family and a cash plan for dental and optical reimbursement.
• Health and wellbeing benefits including a subsidised individual gym membership.
• Income protection to cover long term absences due to ill health.
• Group Death in Service equal to 4x basic annual salary.

At Nxera Pharma, we are passionate about delivering life-changing medicines to patients. We foster an open and welcoming environment where everyone can bring their authentic self to work, harnessing our individual strengths to succeed together.

We value our culture rooted in a diverse mix of minds, backgrounds, and abilities, with a deep sense of belonging. For us, inclusiveness is a reflex, not an initiative.

We are achieving this through a consistent commitment to fairness, equal opportunity, and equity.

Applications should include a CV and covering letter, providing a short description of the background of your interest in the role.

Join us at Nxera Pharma — where AI meets biology to transform the future of medicine.